4-(4-chlorophenyl)-1-(3-nitrophenyl)pyrazol-5-amine

C15H11ClN4O2 — CID 3674519

IUPAC4-(4-chlorophenyl)-1-(3-nitrophenyl)pyrazol-5-amine
SMILESNc1c(-c2ccc(Cl)cc2)cnn1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H11ClN4O2/c16-11-6-4-10(5-7-11)14-9-18-19(15(14)17)12-2-1-3-13(8-12)20(21)22/h1-9H,17H2
InChIKeyZVIXDBLFHTVXBC-UHFFFAOYSA-N
MW314.73 g/mol
LogP3.68
Rot. Bonds3

About 4-(4-chlorophenyl)-1-(3-nitrophenyl)pyrazol-5-amine

4-(4-chlorophenyl)-1-(3-nitrophenyl)pyrazol-5-amine (PubChem CID 3674519) has the molecular formula C15H11ClN4O2 and a molecular weight of 314.73 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(3-nitrophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(3-nitrophenyl)pyrazol-5-amine
PubChem CID3674519
Molecular FormulaC15H11ClN4O2
Molecular Weight314.73 g/mol
Exact Mass314.06
IUPAC Name4-(4-chlorophenyl)-1-(3-nitrophenyl)pyrazol-5-amine
SMILESNc1c(-c2ccc(Cl)cc2)cnn1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H11ClN4O2/c16-11-6-4-10(5-7-11)14-9-18-19(15(14)17)12-2-1-3-13(8-12)20(21)22/h1-9H,17H2
InChIKeyZVIXDBLFHTVXBC-UHFFFAOYSA-N
XLogP3.68
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 53.68
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 4-(4-chlorophenyl)-1-(3-nitrophenyl)pyrazol-5-amine?
The IUPAC name of 4-(4-chlorophenyl)-1-(3-nitrophenyl)pyrazol-5-amine (CID 3674519) is 4-(4-chlorophenyl)-1-(3-nitrophenyl)pyrazol-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(3-nitrophenyl)pyrazol-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)-1-(3-nitrophenyl)pyrazol-5-amine is Nc1c(-c2ccc(Cl)cc2)cnn1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(3-nitrophenyl)pyrazol-5-amine?
The InChIKey is ZVIXDBLFHTVXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O2/c16-11-6-4-10(5-7-11)14-9-18-19(15(14)17)12-2-1-3-13(8-12)20(21)22/h1-9H,17H2.
What are the key properties of 4-(4-chlorophenyl)-1-(3-nitrophenyl)pyrazol-5-amine?
4-(4-chlorophenyl)-1-(3-nitrophenyl)pyrazol-5-amine has a molecular weight of 314.73 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(3-nitrophenyl)pyrazol-5-amine is sourced from PubChem (CID 3674519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).