1-Benzyl-3,4,5-trimethyl-1H-pyrazole

HCID 563178

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Basic information

CAS: 23147-78-6
Standard SMILES: Cc1nn(Cc2ccccc2)c(C)c1C
InChIKey: KDGAKYBYIHVBDF-UHFFFAOYSA-N
Molecular formula: C13H16N2
Average molar mass: 200.28 g/mol
Monoisotopic mass: 200.13134852

Names & identifiers

Preferred name: 1-Benzyl-3,4,5-trimethyl-1H-pyrazole
IUPAC: 1-benzyl-3,4,5-trimethylpyrazole
English name: 1-Benzyl-3,4,5-trimethyl-1H-pyrazole
Molecular weight: 0

Names & synonyms

1-Benzyl-3,4,5-trimethyl-1H-pyrazole1-benzyl-3,4,5-trimethylpyrazoleSCHEMBL12281117SCHEMBL28355094DTXSID80340274KDGAKYBYIHVBDF-UHFFFAOYSA-NAKOS00895685023147-78-61-Benzyl-3,4,5-trimethyl-1H-pyrazole #Pyrazole, 1-phenylmethyl-3,4,5-trimethyl-Q63409246

Database identifiers

CAS: 23147-78-6
PubChem CID: 563178
DTXSID: DTXSID80340274
Nikkaji: J45.361G

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 17.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 199

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