4-(5-methyl-1-phenyltriazole-4-carbonyl)-N,1-diphenylpyrazole-3-carboxamide

C26H20N6O2 — CID 139231542

IUPAC4-(5-methyl-1-phenyltriazole-4-carbonyl)-N,1-diphenylpyrazole-3-carboxamide
SMILESCc1c(C(=O)c2cn(-c3ccccc3)nc2C(=O)Nc2ccccc2)nnn1-c1ccccc1
InChIInChI=1S/C26H20N6O2/c1-18-23(28-30-32(18)21-15-9-4-10-16-21)25(33)22-17-31(20-13-7-3-8-14-20)29-24(22)26(34)27-19-11-5-2-6-12-19/h2-17H,1H3,(H,27,34)
InChIKeyWYLHXESTSSMJSG-UHFFFAOYSA-N
MW448.49 g/mol
LogP4.24
Rot. Bonds6

About 4-(5-methyl-1-phenyltriazole-4-carbonyl)-N,1-diphenylpyrazole-3-carboxamide

4-(5-methyl-1-phenyltriazole-4-carbonyl)-N,1-diphenylpyrazole-3-carboxamide (PubChem CID 139231542) has the molecular formula C26H20N6O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is 4-(5-methyl-1-phenyltriazole-4-carbonyl)-N,1-diphenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(5-methyl-1-phenyltriazole-4-carbonyl)-N,1-diphenylpyrazole-3-carboxamide
PubChem CID139231542
Molecular FormulaC26H20N6O2
Molecular Weight448.49 g/mol
Exact Mass448.16
IUPAC Name4-(5-methyl-1-phenyltriazole-4-carbonyl)-N,1-diphenylpyrazole-3-carboxamide
SMILESCc1c(C(=O)c2cn(-c3ccccc3)nc2C(=O)Nc2ccccc2)nnn1-c1ccccc1
InChIInChI=1S/C26H20N6O2/c1-18-23(28-30-32(18)21-15-9-4-10-16-21)25(33)22-17-31(20-13-7-3-8-14-20)29-24(22)26(34)27-19-11-5-2-6-12-19/h2-17H,1H3,(H,27,34)
InChIKeyWYLHXESTSSMJSG-UHFFFAOYSA-N
XLogP4.24
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(5-methyl-1-phenyltriazole-4-carbonyl)-N,1-diphenylpyrazole-3-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

5-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 15944104
4-(2-methyl-4,5-diphenyl-1H-pyrrole-3-carbonyl)-N,1-diphenylpyrazole-3-carboxamide
CID 127041396
5-methyl-1-phenyl-N-(3-propan-2-ylphenyl)triazole-4-carboxamide
CID 24825148
methyl 3-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]benzoate
CID 15944111
5-ethyl-N,1-diphenyltriazole-4-carboxamide
CID 15944220
5-methyl-N-phenyl-1-(4-propoxyphenyl)triazole-4-carboxamide
CID 17014853
1-(4-methylphenyl)-3-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]thiourea
CID 985458
1-(2-fluorophenyl)-5-methyl-N-phenyltriazole-4-carboxamide
CID 2137590
5-ethoxy-N,1-diphenyltriazole-4-carboxamide
CID 1499985
3-methylsulfanyl-N,1-diphenylpyrazole-4-carboxamide
CID 2822576
N-(3-methylphenyl)-1,5-diphenyltriazole-4-carboxamide
CID 16651444
N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide
CID 2150249

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1-phenyltriazole-4-carbonyl)-N,1-diphenylpyrazole-3-carboxamide?
The IUPAC name of 4-(5-methyl-1-phenyltriazole-4-carbonyl)-N,1-diphenylpyrazole-3-carboxamide (CID 139231542) is 4-(5-methyl-1-phenyltriazole-4-carbonyl)-N,1-diphenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-(5-methyl-1-phenyltriazole-4-carbonyl)-N,1-diphenylpyrazole-3-carboxamide?
The canonical SMILES for 4-(5-methyl-1-phenyltriazole-4-carbonyl)-N,1-diphenylpyrazole-3-carboxamide is Cc1c(C(=O)c2cn(-c3ccccc3)nc2C(=O)Nc2ccccc2)nnn1-c1ccccc1.
What is the InChIKey of 4-(5-methyl-1-phenyltriazole-4-carbonyl)-N,1-diphenylpyrazole-3-carboxamide?
The InChIKey is WYLHXESTSSMJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O2/c1-18-23(28-30-32(18)21-15-9-4-10-16-21)25(33)22-17-31(20-13-7-3-8-14-20)29-24(22)26(34)27-19-11-5-2-6-12-19/h2-17H,1H3,(H,27,34).
What are the key properties of 4-(5-methyl-1-phenyltriazole-4-carbonyl)-N,1-diphenylpyrazole-3-carboxamide?
4-(5-methyl-1-phenyltriazole-4-carbonyl)-N,1-diphenylpyrazole-3-carboxamide has a molecular weight of 448.49 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1-phenyltriazole-4-carbonyl)-N,1-diphenylpyrazole-3-carboxamide is sourced from PubChem (CID 139231542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).