1-(3-nitrophenyl)-4-phenylpyrazol-5-amine

C15H12N4O2 — CID 4261884

IUPAC1-(3-nitrophenyl)-4-phenylpyrazol-5-amine
SMILESNc1c(-c2ccccc2)cnn1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H12N4O2/c16-15-14(11-5-2-1-3-6-11)10-17-18(15)12-7-4-8-13(9-12)19(20)21/h1-10H,16H2
InChIKeyCCZMCCQJAWHSOU-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.03
Rot. Bonds3

About 1-(3-nitrophenyl)-4-phenylpyrazol-5-amine

1-(3-nitrophenyl)-4-phenylpyrazol-5-amine (PubChem CID 4261884) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-(3-nitrophenyl)-4-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-(3-nitrophenyl)-4-phenylpyrazol-5-amine
PubChem CID4261884
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name1-(3-nitrophenyl)-4-phenylpyrazol-5-amine
SMILESNc1c(-c2ccccc2)cnn1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H12N4O2/c16-15-14(11-5-2-1-3-6-11)10-17-18(15)12-7-4-8-13(9-12)19(20)21/h1-10H,16H2
InChIKeyCCZMCCQJAWHSOU-UHFFFAOYSA-N
XLogP3.03
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)-4-phenylpyrazol-5-amine?
The IUPAC name of 1-(3-nitrophenyl)-4-phenylpyrazol-5-amine (CID 4261884) is 1-(3-nitrophenyl)-4-phenylpyrazol-5-amine.
What is the SMILES notation for 1-(3-nitrophenyl)-4-phenylpyrazol-5-amine?
The canonical SMILES for 1-(3-nitrophenyl)-4-phenylpyrazol-5-amine is Nc1c(-c2ccccc2)cnn1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-(3-nitrophenyl)-4-phenylpyrazol-5-amine?
The InChIKey is CCZMCCQJAWHSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c16-15-14(11-5-2-1-3-6-11)10-17-18(15)12-7-4-8-13(9-12)19(20)21/h1-10H,16H2.
What are the key properties of 1-(3-nitrophenyl)-4-phenylpyrazol-5-amine?
1-(3-nitrophenyl)-4-phenylpyrazol-5-amine has a molecular weight of 280.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)-4-phenylpyrazol-5-amine is sourced from PubChem (CID 4261884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).