4-Amino-1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl]-1H-pyrazole-5-carboxamide

HCID 19620355

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Basic information

CAS: 1006483-90-4
Standard SMILES: Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1c(N)cnn1C
InChIKey: ZWNPNYFWMJKNSE-UHFFFAOYSA-N
Molecular formula: C13H17F3N6O
Average molar mass: 330.31 g/mol
Monoisotopic mass: 330.14159367

Names & identifiers

Preferred name: 4-Amino-1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl]-1H-pyrazole-5-carboxamide
IUPAC: 4-amino-1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-5-carboxamide

Names & synonyms

4-Amino-1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl]-1H-pyrazole-5-carboxamide4-AMINO-1-METHYL-N-{3-[5-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]PROPYL}-1H-PYRAZOLE-5-CARBOXAMIDEDTXSID8011130501006483-90-4

Database identifiers

CAS: 1006483-90-4
PubChem CID: 19620355
DTXSID: DTXSID801113050

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 90.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 421

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