N-(1-Methylethyl)-1H-pyrazole-3-methanamine

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Basic information

CAS: 532407-07-1
Standard SMILES: CC(C)NCc1ccn[nH]1
InChIKey: OJWKNCWUKMNBJB-UHFFFAOYSA-N
Molecular formula: C7H13N3
Average molar mass: 139.2 g/mol
Monoisotopic mass: 139.11094743

Names & identifiers

Preferred name: N-(1-Methylethyl)-1H-pyrazole-3-methanamine
IUPAC: N-(1H-pyrazol-5-ylmethyl)propan-2-amine

Names & synonyms

N-(1-Methylethyl)-1H-pyrazole-3-methanamine532407-07-1SCHEMBL5225531SCHEMBL12890244DTXSID901260022AKOS026738304N-[(1H-Pyrazol-3-yl)methyl]propan-2-amine

Database identifiers

CAS: 532407-07-1
PubChem CID: 43662231
DTXSID: DTXSID901260022

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 40.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 92.9

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Compound notes

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