3-(4-methylphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide

C24H21N3O2 — CID 155553556

IUPAC3-(4-methylphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NOCc2ccccc2)cc1
InChIInChI=1S/C24H21N3O2/c1-18-12-14-20(15-13-18)23-22(16-27(25-23)21-10-6-3-7-11-21)24(28)26-29-17-19-8-4-2-5-9-19/h2-16H,17H2,1H3,(H,26,28)
InChIKeyJKXBYSPOIDYTHH-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.71
Rot. Bonds6

About 3-(4-methylphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide

3-(4-methylphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide (PubChem CID 155553556) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide
PubChem CID155553556
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name3-(4-methylphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NOCc2ccccc2)cc1
InChIInChI=1S/C24H21N3O2/c1-18-12-14-20(15-13-18)23-22(16-27(25-23)21-10-6-3-7-11-21)24(28)26-29-17-19-8-4-2-5-9-19/h2-16H,17H2,1H3,(H,26,28)
InChIKeyJKXBYSPOIDYTHH-UHFFFAOYSA-N
XLogP4.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide (CID 155553556) is 3-(4-methylphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NOCc2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide?
The InChIKey is JKXBYSPOIDYTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-18-12-14-20(15-13-18)23-22(16-27(25-23)21-10-6-3-7-11-21)24(28)26-29-17-19-8-4-2-5-9-19/h2-16H,17H2,1H3,(H,26,28).
What are the key properties of 3-(4-methylphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide?
3-(4-methylphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide is sourced from PubChem (CID 155553556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).