N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide

C16H18N6O — CID 71701499

IUPACN-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCC(C)Cc1nc(NC(=O)c2cc(-c3ccccc3)n[nH]2)n[nH]1
InChIInChI=1S/C16H18N6O/c1-10(2)8-14-17-16(22-21-14)18-15(23)13-9-12(19-20-13)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,19,20)(H2,17,18,21,22,23)
InChIKeyBYFKSQLAFPVXCT-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.65
Rot. Bonds5

About N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 71701499) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID71701499
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC NameN-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCC(C)Cc1nc(NC(=O)c2cc(-c3ccccc3)n[nH]2)n[nH]1
InChIInChI=1S/C16H18N6O/c1-10(2)8-14-17-16(22-21-14)18-15(23)13-9-12(19-20-13)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,19,20)(H2,17,18,21,22,23)
InChIKeyBYFKSQLAFPVXCT-UHFFFAOYSA-N
XLogP2.65
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1H-pyrazole-5-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

1-methyl-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-phenylpyrazole-5-carboxamide
CID 71703539
3-phenyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
CID 36580295
N-(4-acetamidophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 26273244
N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 71828124
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078
N-[(E)-benzylideneamino]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxamide
CID 6863551
N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43418024
N-(5-benzyl-1H-1,2,4-triazol-3-yl)-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 157012495
N-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 115612805
(2S,3R)-3-hydroxy-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]butanoic acid
CID 104964742
N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 91822811
(2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
CID 119194391

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 71701499) is N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide is CC(C)Cc1nc(NC(=O)c2cc(-c3ccccc3)n[nH]2)n[nH]1.
What is the InChIKey of N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is BYFKSQLAFPVXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-10(2)8-14-17-16(22-21-14)18-15(23)13-9-12(19-20-13)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,19,20)(H2,17,18,21,22,23).
What are the key properties of N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71701499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).