N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C19H23ClFN7O — CID 119680112

IUPACN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)c2nnn(C3CCNCC3)c2C)n(-c2ccc(F)cc2)n1.Cl
InChIInChI=1S/C19H22FN7O.ClH/c1-12-11-17(27(24-12)15-5-3-14(20)4-6-15)22-19(28)18-13(2)26(25-23-18)16-7-9-21-10-8-16;/h3-6,11,16,21H,7-10H2,1-2H3,(H,22,28);1H
InChIKeyOLCSTAMUOSQKJB-UHFFFAOYSA-N
MW419.89 g/mol
LogP2.82
Rot. Bonds4

About N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119680112) has the molecular formula C19H23ClFN7O and a molecular weight of 419.89 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119680112
Molecular FormulaC19H23ClFN7O
Molecular Weight419.89 g/mol
Exact Mass419.16
IUPAC NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1cc(NC(=O)c2nnn(C3CCNCC3)c2C)n(-c2ccc(F)cc2)n1.Cl
InChIInChI=1S/C19H22FN7O.ClH/c1-12-11-17(27(24-12)15-5-3-14(20)4-6-15)22-19(28)18-13(2)26(25-23-18)16-7-9-21-10-8-16;/h3-6,11,16,21H,7-10H2,1-2H3,(H,22,28);1H
InChIKeyOLCSTAMUOSQKJB-UHFFFAOYSA-N
XLogP2.82
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.89
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119680112) is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1cc(NC(=O)c2nnn(C3CCNCC3)c2C)n(-c2ccc(F)cc2)n1.Cl.
What is the InChIKey of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is OLCSTAMUOSQKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN7O.ClH/c1-12-11-17(27(24-12)15-5-3-14(20)4-6-15)22-19(28)18-13(2)26(25-23-18)16-7-9-21-10-8-16;/h3-6,11,16,21H,7-10H2,1-2H3,(H,22,28);1H.
What are the key properties of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 419.89 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119680112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).