1-(4-methoxyphenyl)-5-phenyl-N-(2-propan-2-yltriazol-4-yl)pyrazole-3-carboxamide

C22H22N6O2 — CID 157019778

IUPAC1-(4-methoxyphenyl)-5-phenyl-N-(2-propan-2-yltriazol-4-yl)pyrazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)Nc3cnn(C(C)C)n3)cc2-c2ccccc2)cc1
InChIInChI=1S/C22H22N6O2/c1-15(2)28-23-14-21(26-28)24-22(29)19-13-20(16-7-5-4-6-8-16)27(25-19)17-9-11-18(30-3)12-10-17/h4-15H,1-3H3,(H,24,26,29)
InChIKeyXQLCGKWQTWLXAI-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.97
Rot. Bonds6

About 1-(4-methoxyphenyl)-5-phenyl-N-(2-propan-2-yltriazol-4-yl)pyrazole-3-carboxamide

1-(4-methoxyphenyl)-5-phenyl-N-(2-propan-2-yltriazol-4-yl)pyrazole-3-carboxamide (PubChem CID 157019778) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-phenyl-N-(2-propan-2-yltriazol-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-phenyl-N-(2-propan-2-yltriazol-4-yl)pyrazole-3-carboxamide
PubChem CID157019778
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name1-(4-methoxyphenyl)-5-phenyl-N-(2-propan-2-yltriazol-4-yl)pyrazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)Nc3cnn(C(C)C)n3)cc2-c2ccccc2)cc1
InChIInChI=1S/C22H22N6O2/c1-15(2)28-23-14-21(26-28)24-22(29)19-13-20(16-7-5-4-6-8-16)27(25-19)17-9-11-18(30-3)12-10-17/h4-15H,1-3H3,(H,24,26,29)
InChIKeyXQLCGKWQTWLXAI-UHFFFAOYSA-N
XLogP3.97
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(4-methoxyphenyl)-5-phenyl-N-(2-propan-2-yltriazol-4-yl)pyrazole-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

N-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 52650371
N-(2-hydroxyethyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 78888374
N'-(2-chlorobenzoyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carbohydrazide
CID 55765038
5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide
CID 166208629
1-(4-chlorophenyl)-N-methyl-5-phenylpyrazole-3-carboxamide
CID 164610011
1-(4-fluorophenyl)-N-(4-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53002239
[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-(2-methoxyphenyl)methanone
CID 14871128
5-(4-methoxyphenyl)-1-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 55824547
5-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbohydrazide
CID 166610813
N-[(4-methoxyphenyl)methyl]-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide
CID 53002283
5-(4-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazole-3-carboxamide
CID 55775986
N-(4-azidophenyl)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 10049148

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-phenyl-N-(2-propan-2-yltriazol-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-5-phenyl-N-(2-propan-2-yltriazol-4-yl)pyrazole-3-carboxamide (CID 157019778) is 1-(4-methoxyphenyl)-5-phenyl-N-(2-propan-2-yltriazol-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-phenyl-N-(2-propan-2-yltriazol-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-5-phenyl-N-(2-propan-2-yltriazol-4-yl)pyrazole-3-carboxamide is COc1ccc(-n2nc(C(=O)Nc3cnn(C(C)C)n3)cc2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-phenyl-N-(2-propan-2-yltriazol-4-yl)pyrazole-3-carboxamide?
The InChIKey is XQLCGKWQTWLXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-15(2)28-23-14-21(26-28)24-22(29)19-13-20(16-7-5-4-6-8-16)27(25-19)17-9-11-18(30-3)12-10-17/h4-15H,1-3H3,(H,24,26,29).
What are the key properties of 1-(4-methoxyphenyl)-5-phenyl-N-(2-propan-2-yltriazol-4-yl)pyrazole-3-carboxamide?
1-(4-methoxyphenyl)-5-phenyl-N-(2-propan-2-yltriazol-4-yl)pyrazole-3-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-phenyl-N-(2-propan-2-yltriazol-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 157019778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).