5-(2-aminophenyl)-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide

C24H22N4O2 — CID 10046418

IUPAC5-(2-aminophenyl)-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2-c2ccccc2N)cc1
InChIInChI=1S/C24H22N4O2/c1-16-22(24(29)26-17-12-14-19(30-2)15-13-17)23(20-10-6-7-11-21(20)25)28(27-16)18-8-4-3-5-9-18/h3-15H,25H2,1-2H3,(H,26,29)
InChIKeyVKFMRBINSCWKOC-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.69
Rot. Bonds5

About 5-(2-aminophenyl)-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide

5-(2-aminophenyl)-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 10046418) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 5-(2-aminophenyl)-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-aminophenyl)-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID10046418
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name5-(2-aminophenyl)-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2-c2ccccc2N)cc1
InChIInChI=1S/C24H22N4O2/c1-16-22(24(29)26-17-12-14-19(30-2)15-13-17)23(20-10-6-7-11-21(20)25)28(27-16)18-8-4-3-5-9-18/h3-15H,25H2,1-2H3,(H,26,29)
InChIKeyVKFMRBINSCWKOC-UHFFFAOYSA-N
XLogP4.69
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminophenyl)-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-(2-aminophenyl)-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide (CID 10046418) is 5-(2-aminophenyl)-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(2-aminophenyl)-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-(2-aminophenyl)-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2-c2ccccc2N)cc1.
What is the InChIKey of 5-(2-aminophenyl)-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is VKFMRBINSCWKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-16-22(24(29)26-17-12-14-19(30-2)15-13-17)23(20-10-6-7-11-21(20)25)28(27-16)18-8-4-3-5-9-18/h3-15H,25H2,1-2H3,(H,26,29).
What are the key properties of 5-(2-aminophenyl)-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide?
5-(2-aminophenyl)-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminophenyl)-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 10046418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).