5-methyl-1-(3-methylphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide

C22H22N6O — CID 55857322

IUPAC5-methyl-1-(3-methylphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)NCc3ccccc3Cn3cccn3)c2C)c1
InChIInChI=1S/C22H22N6O/c1-16-7-5-10-20(13-16)28-17(2)21(25-26-28)22(29)23-14-18-8-3-4-9-19(18)15-27-12-6-11-24-27/h3-13H,14-15H2,1-2H3,(H,23,29)
InChIKeyBFHZKELSNVTJJT-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.06
Rot. Bonds6

About 5-methyl-1-(3-methylphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide

5-methyl-1-(3-methylphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide (PubChem CID 55857322) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 5-methyl-1-(3-methylphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(3-methylphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide
PubChem CID55857322
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name5-methyl-1-(3-methylphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)NCc3ccccc3Cn3cccn3)c2C)c1
InChIInChI=1S/C22H22N6O/c1-16-7-5-10-20(13-16)28-17(2)21(25-26-28)22(29)23-14-18-8-3-4-9-19(18)15-27-12-6-11-24-27/h3-13H,14-15H2,1-2H3,(H,23,29)
InChIKeyBFHZKELSNVTJJT-UHFFFAOYSA-N
XLogP3.06
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-1-(3-methylphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]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-[3-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide
CID 150533442
N-(3,4-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850328
N,5-dimethyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 850677
N-(3-ethylphenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 850903
N-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-3-(1-methyl-1H-pyrazol-4-yl)acrylamide
CID 844520
N-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-3-(1-ethyl-1H-pyrazol-4-yl)acrylamide
CID 1001179
4-chloro-1-methyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 3421069
N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-ethyl-1H-pyrazole-3-carboxamide
CID 4577554
N-benzyl-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850356
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethyl-3-pyrazolecarboxamide
CID 24791863
1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 33948385
2-ethyl-5-methyl-N-[(3S)-3-[methyl-[5-methyl-2-(triazol-2-yl)benzoyl]amino]-4-phenylbutyl]pyrazole-3-carboxamide
CID 73352182

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methylphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(3-methylphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide (CID 55857322) is 5-methyl-1-(3-methylphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(3-methylphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(3-methylphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide is Cc1cccc(-n2nnc(C(=O)NCc3ccccc3Cn3cccn3)c2C)c1.
What is the InChIKey of 5-methyl-1-(3-methylphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide?
The InChIKey is BFHZKELSNVTJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-16-7-5-10-20(13-16)28-17(2)21(25-26-28)22(29)23-14-18-8-3-4-9-19(18)15-27-12-6-11-24-27/h3-13H,14-15H2,1-2H3,(H,23,29).
What are the key properties of 5-methyl-1-(3-methylphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide?
5-methyl-1-(3-methylphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methylphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 55857322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).