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

C15H12N4O2 — CID 880881

IUPAC1-(4-nitrophenyl)-3-phenylpyrazol-5-amine
SMILESNc1cc(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12N4O2/c16-15-10-14(11-4-2-1-3-5-11)17-18(15)12-6-8-13(9-7-12)19(20)21/h1-10H,16H2
InChIKeyHPMXTCWUUVDDHY-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.03
Rot. Bonds3

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

1-(4-nitrophenyl)-3-phenylpyrazol-5-amine (PubChem CID 880881) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-3-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-(4-nitrophenyl)-3-phenylpyrazol-5-amine
PubChem CID880881
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name1-(4-nitrophenyl)-3-phenylpyrazol-5-amine
SMILESNc1cc(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12N4O2/c16-15-10-14(11-4-2-1-3-5-11)17-18(15)12-6-8-13(9-7-12)19(20)21/h1-10H,16H2
InChIKeyHPMXTCWUUVDDHY-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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Related Compounds

Pyrazole, 5-amino-3-(p-aminophenyl)-1-phenyl-
CID 202779
3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
CID 775688
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
1-(4-Fluorophenyl)-3-(4-methylphenyl)-1H-pyrazol-5-amine
CID 1478026
3-(3-Methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2060622
3-(4-ethylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2517678
3-methyl-1-(3-methylphenyl)-1H-pyrazol-5-amine
CID 936840
3-Methyl-1-(4-nitrophenyl)-1H-pyrazol-5-amine
CID 786267
1H-Pyrazol-5-amine, 3-methyl-1-(4-methylphenyl)-
CID 112855
3-methyl-1-(4-nitrophenyl)-4-phenyl-1H-pyrazol-5-amine
CID 1263645
5-nitro-1-phenyl-1H-indazol-3-amine
CID 24761590

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-3-phenylpyrazol-5-amine?
The IUPAC name of 1-(4-nitrophenyl)-3-phenylpyrazol-5-amine (CID 880881) is 1-(4-nitrophenyl)-3-phenylpyrazol-5-amine.
What is the SMILES notation for 1-(4-nitrophenyl)-3-phenylpyrazol-5-amine?
The canonical SMILES for 1-(4-nitrophenyl)-3-phenylpyrazol-5-amine is Nc1cc(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(4-nitrophenyl)-3-phenylpyrazol-5-amine?
The InChIKey is HPMXTCWUUVDDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c16-15-10-14(11-4-2-1-3-5-11)17-18(15)12-6-8-13(9-7-12)19(20)21/h1-10H,16H2.
What are the key properties of 1-(4-nitrophenyl)-3-phenylpyrazol-5-amine?
1-(4-nitrophenyl)-3-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-(4-nitrophenyl)-3-phenylpyrazol-5-amine is sourced from PubChem (CID 880881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).