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

C31H26ClN3O — CID 11306424

IUPAC1-(3-chlorophenyl)-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cnn(-c2cccc(Cl)c2)c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H26ClN3O/c32-27-14-7-15-28(21-27)35-30(26-18-16-25(17-19-26)24-12-5-2-6-13-24)29(22-34-35)31(36)33-20-8-11-23-9-3-1-4-10-23/h1-7,9-10,12-19,21-22H,8,11,20H2,(H,33,36)
InChIKeyQLZDGVLTCPINMU-UHFFFAOYSA-N
MW492.02 g/mol
LogP7.22
Rot. Bonds8

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

1-(3-chlorophenyl)-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide (PubChem CID 11306424) has the molecular formula C31H26ClN3O and a molecular weight of 492.02 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide
PubChem CID11306424
Molecular FormulaC31H26ClN3O
Molecular Weight492.02 g/mol
Exact Mass491.18
IUPAC Name1-(3-chlorophenyl)-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cnn(-c2cccc(Cl)c2)c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H26ClN3O/c32-27-14-7-15-28(21-27)35-30(26-18-16-25(17-19-26)24-12-5-2-6-13-24)29(22-34-35)31(36)33-20-8-11-23-9-3-1-4-10-23/h1-7,9-10,12-19,21-22H,8,11,20H2,(H,33,36)
InChIKeyQLZDGVLTCPINMU-UHFFFAOYSA-N
XLogP7.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.02
LogP ≤ 57.22
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-chlorophenyl)-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide (CID 11306424) is 1-(3-chlorophenyl)-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide is O=C(NCCCc1ccccc1)c1cnn(-c2cccc(Cl)c2)c1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide?
The InChIKey is QLZDGVLTCPINMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26ClN3O/c32-27-14-7-15-28(21-27)35-30(26-18-16-25(17-19-26)24-12-5-2-6-13-24)29(22-34-35)31(36)33-20-8-11-23-9-3-1-4-10-23/h1-7,9-10,12-19,21-22H,8,11,20H2,(H,33,36).
What are the key properties of 1-(3-chlorophenyl)-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide?
1-(3-chlorophenyl)-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide has a molecular weight of 492.02 g/mol, XLogP of 7.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-(4-phenylphenyl)-N-(3-phenylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 11306424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).