1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide

C18H21N7O — CID 119725267

IUPAC1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide
SMILESO=C(NCc1ccc(-n2cccn2)cc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C18H21N7O/c26-18(17-13-25(23-22-17)16-6-9-19-10-7-16)20-12-14-2-4-15(5-3-14)24-11-1-8-21-24/h1-5,8,11,13,16,19H,6-7,9-10,12H2,(H,20,26)
InChIKeyNGUIDVCBJUVYAG-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.32
Rot. Bonds5

About 1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide

1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide (PubChem CID 119725267) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide
PubChem CID119725267
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide
SMILESO=C(NCc1ccc(-n2cccn2)cc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C18H21N7O/c26-18(17-13-25(23-22-17)16-6-9-19-10-7-16)20-12-14-2-4-15(5-3-14)24-11-1-8-21-24/h1-5,8,11,13,16,19H,6-7,9-10,12H2,(H,20,26)
InChIKeyNGUIDVCBJUVYAG-UHFFFAOYSA-N
XLogP1.32
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675797
5-methyl-1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119725262
N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119709513
ethyl 4-[[(1-piperidin-4-yltriazole-4-carbonyl)amino]methyl]benzoate;hydrochloride
CID 119746496
N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 119290427
N-(imidazo[1,2-a]pyridin-7-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119889495
N-[(3-phenoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119732509
N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119877260
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119846496
N-[(6-phenoxy-3-pyridinyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119872250
1-piperidin-4-yl-N-(2H-tetrazol-5-ylmethyl)triazole-4-carboxamide
CID 63284483
N-[(3-ethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119714461

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide (CID 119725267) is 1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide is O=C(NCc1ccc(-n2cccn2)cc1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide?
The InChIKey is NGUIDVCBJUVYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c26-18(17-13-25(23-22-17)16-6-9-19-10-7-16)20-12-14-2-4-15(5-3-14)24-11-1-8-21-24/h1-5,8,11,13,16,19H,6-7,9-10,12H2,(H,20,26).
What are the key properties of 1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide?
1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 119725267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).