N-[1-(2-fluorophenyl)pyrazol-4-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C17H19ClFN7O — CID 119794282

IUPACN-[1-(2-fluorophenyl)pyrazol-4-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cnn(-c2ccccc2F)c1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C17H18FN7O.ClH/c18-14-3-1-2-4-16(14)25-10-12(9-20-25)21-17(26)15-11-24(23-22-15)13-5-7-19-8-6-13;/h1-4,9-11,13,19H,5-8H2,(H,21,26);1H
InChIKeyMUFWLORYHQUPRN-UHFFFAOYSA-N
MW391.84 g/mol
LogP2.20
Rot. Bonds4

About N-[1-(2-fluorophenyl)pyrazol-4-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[1-(2-fluorophenyl)pyrazol-4-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119794282) has the molecular formula C17H19ClFN7O and a molecular weight of 391.84 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)pyrazol-4-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)pyrazol-4-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119794282
Molecular FormulaC17H19ClFN7O
Molecular Weight391.84 g/mol
Exact Mass391.13
IUPAC NameN-[1-(2-fluorophenyl)pyrazol-4-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cnn(-c2ccccc2F)c1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C17H18FN7O.ClH/c18-14-3-1-2-4-16(14)25-10-12(9-20-25)21-17(26)15-11-24(23-22-15)13-5-7-19-8-6-13;/h1-4,9-11,13,19H,5-8H2,(H,21,26);1H
InChIKeyMUFWLORYHQUPRN-UHFFFAOYSA-N
XLogP2.20
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.84
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide
CID 3245050
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]pyrazine-2-carboxamide
CID 16190969
N-(1-cyclohexylpiperidin-4-yl)-1-(2,4-difluorophenyl)triazole-4-carboxamide
CID 134218714
N-(1-phenylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide
CID 141484735
1-[1-(2-Fluoro-phenyl)-ethyl]-1H-[1,2,3]triazole-4-carboxylic acid (pyridin-4-ylmethyl)-amide
CID 647546
N-[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 3185083
US10344025, Example 187
CID 118640583
US10889564, Example 15
CID 129104679
1-cyclopropyl-N-(1-((1-(4-fluorobenzyl)-1H-pyrazol-4-yl)methyl)azetidin-3-yl)-1H-1,2,3-triazole-4-carboxamide
CID 132220120
N-(3,4-difluorophenyl)-1-[(3-methyl-1H-pyrazol-1-yl)acetyl]-3-piperidinamine
CID 24793309
N-(3,4-difluorophenyl)-1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinamine
CID 24790176
N-(3,4-difluorophenyl)-1-[3-(5-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinamine
CID 24819244

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)pyrazol-4-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2-fluorophenyl)pyrazol-4-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119794282) is N-[1-(2-fluorophenyl)pyrazol-4-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2-fluorophenyl)pyrazol-4-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2-fluorophenyl)pyrazol-4-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cl.O=C(Nc1cnn(-c2ccccc2F)c1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[1-(2-fluorophenyl)pyrazol-4-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is MUFWLORYHQUPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN7O.ClH/c18-14-3-1-2-4-16(14)25-10-12(9-20-25)21-17(26)15-11-24(23-22-15)13-5-7-19-8-6-13;/h1-4,9-11,13,19H,5-8H2,(H,21,26);1H.
What are the key properties of N-[1-(2-fluorophenyl)pyrazol-4-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[1-(2-fluorophenyl)pyrazol-4-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 391.84 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)pyrazol-4-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119794282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).