N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide

C19H23N7O — CID 119717745

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1cc(C)n(-c2ccccc2NC(=O)c2cn(C3CCNCC3)nn2)n1
InChIInChI=1S/C19H23N7O/c1-13-11-14(2)26(23-13)18-6-4-3-5-16(18)21-19(27)17-12-25(24-22-17)15-7-9-20-10-8-15/h3-6,11-12,15,20H,7-10H2,1-2H3,(H,21,27)
InChIKeyHDEKEYFLNCNZGQ-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.26
Rot. Bonds4

About N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119717745) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119717745
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1cc(C)n(-c2ccccc2NC(=O)c2cn(C3CCNCC3)nn2)n1
InChIInChI=1S/C19H23N7O/c1-13-11-14(2)26(23-13)18-6-4-3-5-16(18)21-19(27)17-12-25(24-22-17)15-7-9-20-10-8-15/h3-6,11-12,15,20H,7-10H2,1-2H3,(H,21,27)
InChIKeyHDEKEYFLNCNZGQ-UHFFFAOYSA-N
XLogP2.26
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119717744
N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670454
N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282984
N-[2-(tert-butylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119707297
1-piperidin-4-yl-N-(2-propylphenyl)triazole-4-carboxamide
CID 75419659
N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119669252
N-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119714079
N-(2-methoxy-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119740560
N-(6-methyl-2-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283426
N-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119707837
N-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119709473
N-[4-(3-chlorophenyl)-2-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119769723

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119717745) is N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide is Cc1cc(C)n(-c2ccccc2NC(=O)c2cn(C3CCNCC3)nn2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is HDEKEYFLNCNZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-13-11-14(2)26(23-13)18-6-4-3-5-16(18)21-19(27)17-12-25(24-22-17)15-7-9-20-10-8-15/h3-6,11-12,15,20H,7-10H2,1-2H3,(H,21,27).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119717745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).