1-(3-methylphenyl)-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide

C32H29N3O — CID 57333229

IUPAC1-(3-methylphenyl)-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide
SMILESCc1cccc(-n2ncc(C(=O)NCCCc3ccccc3)c2-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C32H29N3O/c1-24-10-8-16-29(22-24)35-31(28-19-17-27(18-20-28)26-14-6-3-7-15-26)30(23-34-35)32(36)33-21-9-13-25-11-4-2-5-12-25/h2-8,10-12,14-20,22-23H,9,13,21H2,1H3,(H,33,36)
InChIKeyRYSVRUNBYBQFLG-UHFFFAOYSA-N
MW471.60 g/mol
LogP6.88
Rot. Bonds8

About 1-(3-methylphenyl)-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide

1-(3-methylphenyl)-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide (PubChem CID 57333229) has the molecular formula C32H29N3O and a molecular weight of 471.60 g/mol. Its IUPAC name is 1-(3-methylphenyl)-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide
PubChem CID57333229
Molecular FormulaC32H29N3O
Molecular Weight471.60 g/mol
Exact Mass471.23
IUPAC Name1-(3-methylphenyl)-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide
SMILESCc1cccc(-n2ncc(C(=O)NCCCc3ccccc3)c2-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C32H29N3O/c1-24-10-8-16-29(22-24)35-31(28-19-17-27(18-20-28)26-14-6-3-7-15-26)30(23-34-35)32(36)33-21-9-13-25-11-4-2-5-12-25/h2-8,10-12,14-20,22-23H,9,13,21H2,1H3,(H,33,36)
InChIKeyRYSVRUNBYBQFLG-UHFFFAOYSA-N
XLogP6.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide (CID 57333229) is 1-(3-methylphenyl)-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide is Cc1cccc(-n2ncc(C(=O)NCCCc3ccccc3)c2-c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 1-(3-methylphenyl)-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide?
The InChIKey is RYSVRUNBYBQFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O/c1-24-10-8-16-29(22-24)35-31(28-19-17-27(18-20-28)26-14-6-3-7-15-26)30(23-34-35)32(36)33-21-9-13-25-11-4-2-5-12-25/h2-8,10-12,14-20,22-23H,9,13,21H2,1H3,(H,33,36).
What are the key properties of 1-(3-methylphenyl)-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide?
1-(3-methylphenyl)-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide has a molecular weight of 471.60 g/mol, XLogP of 6.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 57333229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).