1-(4-nitrophenyl)-5-phenyl-3-(1-phenylpyrazol-4-yl)pyrazole

C24H17N5O2 — CID 11143979

IUPAC1-(4-nitrophenyl)-5-phenyl-3-(1-phenylpyrazol-4-yl)pyrazole
SMILESO=[N+]([O-])c1ccc(-n2nc(-c3cnn(-c4ccccc4)c3)cc2-c2ccccc2)cc1
InChIInChI=1S/C24H17N5O2/c30-29(31)22-13-11-21(12-14-22)28-24(18-7-3-1-4-8-18)15-23(26-28)19-16-25-27(17-19)20-9-5-2-6-10-20/h1-17H
InChIKeyNHTBACMOZHHHRH-UHFFFAOYSA-N
MW407.43 g/mol
LogP5.30
Rot. Bonds5

About 1-(4-nitrophenyl)-5-phenyl-3-(1-phenylpyrazol-4-yl)pyrazole

1-(4-nitrophenyl)-5-phenyl-3-(1-phenylpyrazol-4-yl)pyrazole (PubChem CID 11143979) has the molecular formula C24H17N5O2 and a molecular weight of 407.43 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-5-phenyl-3-(1-phenylpyrazol-4-yl)pyrazole.

Molecular Properties

Compound Name1-(4-nitrophenyl)-5-phenyl-3-(1-phenylpyrazol-4-yl)pyrazole
PubChem CID11143979
Molecular FormulaC24H17N5O2
Molecular Weight407.43 g/mol
Exact Mass407.14
IUPAC Name1-(4-nitrophenyl)-5-phenyl-3-(1-phenylpyrazol-4-yl)pyrazole
SMILESO=[N+]([O-])c1ccc(-n2nc(-c3cnn(-c4ccccc4)c3)cc2-c2ccccc2)cc1
InChIInChI=1S/C24H17N5O2/c30-29(31)22-13-11-21(12-14-22)28-24(18-7-3-1-4-8-18)15-23(26-28)19-16-25-27(17-19)20-9-5-2-6-10-20/h1-17H
InChIKeyNHTBACMOZHHHRH-UHFFFAOYSA-N
XLogP5.30
TPSA78.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.43
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(4-nitrophenyl)-5-phenyl-3-(1-phenylpyrazol-4-yl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-5-phenyl-3-(1-phenylpyrazol-4-yl)pyrazole?
The IUPAC name of 1-(4-nitrophenyl)-5-phenyl-3-(1-phenylpyrazol-4-yl)pyrazole (CID 11143979) is 1-(4-nitrophenyl)-5-phenyl-3-(1-phenylpyrazol-4-yl)pyrazole.
What is the SMILES notation for 1-(4-nitrophenyl)-5-phenyl-3-(1-phenylpyrazol-4-yl)pyrazole?
The canonical SMILES for 1-(4-nitrophenyl)-5-phenyl-3-(1-phenylpyrazol-4-yl)pyrazole is O=[N+]([O-])c1ccc(-n2nc(-c3cnn(-c4ccccc4)c3)cc2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-nitrophenyl)-5-phenyl-3-(1-phenylpyrazol-4-yl)pyrazole?
The InChIKey is NHTBACMOZHHHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O2/c30-29(31)22-13-11-21(12-14-22)28-24(18-7-3-1-4-8-18)15-23(26-28)19-16-25-27(17-19)20-9-5-2-6-10-20/h1-17H.
What are the key properties of 1-(4-nitrophenyl)-5-phenyl-3-(1-phenylpyrazol-4-yl)pyrazole?
1-(4-nitrophenyl)-5-phenyl-3-(1-phenylpyrazol-4-yl)pyrazole has a molecular weight of 407.43 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-5-phenyl-3-(1-phenylpyrazol-4-yl)pyrazole is sourced from PubChem (CID 11143979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).