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

C16H14N4O2 — CID 155928179

IUPACN-methyl-1-(4-nitrophenyl)-3-phenylpyrazol-5-amine
SMILESCNc1cc(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H14N4O2/c1-17-16-11-15(12-5-3-2-4-6-12)18-19(16)13-7-9-14(10-8-13)20(21)22/h2-11,17H,1H3
InChIKeyHAAMCQPDCUFEDH-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.49
Rot. Bonds4

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

N-methyl-1-(4-nitrophenyl)-3-phenylpyrazol-5-amine (PubChem CID 155928179) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-methyl-1-(4-nitrophenyl)-3-phenylpyrazol-5-amine.

Molecular Properties

Compound NameN-methyl-1-(4-nitrophenyl)-3-phenylpyrazol-5-amine
PubChem CID155928179
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-methyl-1-(4-nitrophenyl)-3-phenylpyrazol-5-amine
SMILESCNc1cc(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H14N4O2/c1-17-16-11-15(12-5-3-2-4-6-12)18-19(16)13-7-9-14(10-8-13)20(21)22/h2-11,17H,1H3
InChIKeyHAAMCQPDCUFEDH-UHFFFAOYSA-N
XLogP3.49
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.49
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
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
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-(4-nitrophenyl)-1H-pyrazol-5-amine
CID 786267
3-methyl-1-(4-nitrophenyl)-4-phenyl-1H-pyrazol-5-amine
CID 1263645
3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 854142
4-fluoro-N-methyl-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzene-1-carboximidamide
CID 2322836
4-(3-methylphenyl)-1-(3-nitrophenyl)-1H-pyrazol-5-amine
CID 2764842
4-(4-Methylphenyl)-1-(3-nitrophenyl)-1H-pyrazol-5-amine
CID 2764846
4-(2-methylphenyl)-1-(3-nitrophenyl)-1H-pyrazol-5-amine
CID 3831208
1-(3-nitrophenyl)-4-phenyl-1H-pyrazol-5-ylamine
CID 4261884

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-nitrophenyl)-3-phenylpyrazol-5-amine?
The IUPAC name of N-methyl-1-(4-nitrophenyl)-3-phenylpyrazol-5-amine (CID 155928179) is N-methyl-1-(4-nitrophenyl)-3-phenylpyrazol-5-amine.
What is the SMILES notation for N-methyl-1-(4-nitrophenyl)-3-phenylpyrazol-5-amine?
The canonical SMILES for N-methyl-1-(4-nitrophenyl)-3-phenylpyrazol-5-amine is CNc1cc(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-methyl-1-(4-nitrophenyl)-3-phenylpyrazol-5-amine?
The InChIKey is HAAMCQPDCUFEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-17-16-11-15(12-5-3-2-4-6-12)18-19(16)13-7-9-14(10-8-13)20(21)22/h2-11,17H,1H3.
What are the key properties of N-methyl-1-(4-nitrophenyl)-3-phenylpyrazol-5-amine?
N-methyl-1-(4-nitrophenyl)-3-phenylpyrazol-5-amine has a molecular weight of 294.31 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-nitrophenyl)-3-phenylpyrazol-5-amine is sourced from PubChem (CID 155928179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).