2-(3-carbamimidoylphenyl)-5-methyl-N-(4-phenylphenyl)pyrazole-3-carboxamide

C24H21N5O — CID 10572774

IUPAC2-(3-carbamimidoylphenyl)-5-methyl-N-(4-phenylphenyl)pyrazole-3-carboxamide
SMILES[H]/N=C(\N)c1cccc(-n2nc(C)cc2C(=O)Nc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C24H21N5O/c1-16-14-22(29(28-16)21-9-5-8-19(15-21)23(25)26)24(30)27-20-12-10-18(11-13-20)17-6-3-2-4-7-17/h2-15H,1H3,(H3,25,26)(H,27,30)
InChIKeyYCAWZJDLZVOETK-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.38
Rot. Bonds5

About 2-(3-carbamimidoylphenyl)-5-methyl-N-(4-phenylphenyl)pyrazole-3-carboxamide

2-(3-carbamimidoylphenyl)-5-methyl-N-(4-phenylphenyl)pyrazole-3-carboxamide (PubChem CID 10572774) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is 2-(3-carbamimidoylphenyl)-5-methyl-N-(4-phenylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(3-carbamimidoylphenyl)-5-methyl-N-(4-phenylphenyl)pyrazole-3-carboxamide
PubChem CID10572774
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name2-(3-carbamimidoylphenyl)-5-methyl-N-(4-phenylphenyl)pyrazole-3-carboxamide
SMILES[H]/N=C(\N)c1cccc(-n2nc(C)cc2C(=O)Nc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C24H21N5O/c1-16-14-22(29(28-16)21-9-5-8-19(15-21)23(25)26)24(30)27-20-12-10-18(11-13-20)17-6-3-2-4-7-17/h2-15H,1H3,(H3,25,26)(H,27,30)
InChIKeyYCAWZJDLZVOETK-UHFFFAOYSA-N
XLogP4.38
TPSA96.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamimidoylphenyl)-5-methyl-N-(4-phenylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 2-(3-carbamimidoylphenyl)-5-methyl-N-(4-phenylphenyl)pyrazole-3-carboxamide (CID 10572774) is 2-(3-carbamimidoylphenyl)-5-methyl-N-(4-phenylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-(3-carbamimidoylphenyl)-5-methyl-N-(4-phenylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-(3-carbamimidoylphenyl)-5-methyl-N-(4-phenylphenyl)pyrazole-3-carboxamide is [H]/N=C(\N)c1cccc(-n2nc(C)cc2C(=O)Nc2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 2-(3-carbamimidoylphenyl)-5-methyl-N-(4-phenylphenyl)pyrazole-3-carboxamide?
The InChIKey is YCAWZJDLZVOETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c1-16-14-22(29(28-16)21-9-5-8-19(15-21)23(25)26)24(30)27-20-12-10-18(11-13-20)17-6-3-2-4-7-17/h2-15H,1H3,(H3,25,26)(H,27,30).
What are the key properties of 2-(3-carbamimidoylphenyl)-5-methyl-N-(4-phenylphenyl)pyrazole-3-carboxamide?
2-(3-carbamimidoylphenyl)-5-methyl-N-(4-phenylphenyl)pyrazole-3-carboxamide has a molecular weight of 395.47 g/mol, XLogP of 4.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbamimidoylphenyl)-5-methyl-N-(4-phenylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 10572774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).