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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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).