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Substance Name: 3-Methylpyrazole
RN: 1453-58-3
UNII: W7KU1RRO6U
InChIKey: XKVUYEYANWFIJX-UHFFFAOYSA-N

Note

  • Methyl can be in 3 or 5 position.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C4-H6-N2

Molecular Weight

  • 82.1054
 
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Names and Synonyms

Name of Substance

  • 3-Methylpyrazole

Synonyms

  • 3(5)-Methylpyrazole
  • 3-Methylpyrazole
  • 5-23-05-00004 (Beilstein Handbook Reference)
  • 5-Methylpyrazole
  • BRN 0001454
  • EC 215-925-7
  • EINECS 215-925-7
  • Pyrazole, 5-methyl-
  • UNII-W7KU1RRO6U

Systematic Names

  • 1H-Pyrazole, 3-methyl-
  • 3-Methylpyrazole
  • Pyrazole, 3-methyl-

Registry Numbers

CAS Registry Number

  • 1453-58-3

FDA UNII

  • W7KU1RRO6U

System Generated Number

  • 0001453583

Structure Descriptors

InChI

1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)

InChIKey

XKVUYEYANWFIJX-UHFFFAOYSA-N

Smiles

Cc1cc[nH]n1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 900mg/kg (900mg/kg)   Farmakologiya i Toksikologiya Vol. 25, Pg. 27, 1962.
mouse LD50 oral 240mg/kg (240mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: EXCITEMENT

PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(6), Pg. 29, 1986.
rat LC50 inhalation 719mg/m3 (719mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(9), Pg. 50, 1988.
rat LD50 oral 710mg/kg (710mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC

CARDIAC: OTHER CHANGES
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(9), Pg. 50, 1988.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 36.5 deg C   EXP
Boiling Point 204 deg C   EXP
log P (octanol-water) 0.610 (none)   EST
Atmospheric OH Rate Constant 9.41E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.