2-amino-5-(4-chlorophenyl)-1H-pyrazol-3-one

C9H8ClN3O — CID 20539645

IUPAC2-amino-5-(4-chlorophenyl)-1H-pyrazol-3-one
SMILESNn1[nH]c(-c2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C9H8ClN3O/c10-7-3-1-6(2-4-7)8-5-9(14)13(11)12-8/h1-5,12H,11H2
InChIKeyFVJHTMTWTJOYSE-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.21
Rot. Bonds1

About 2-amino-5-(4-chlorophenyl)-1H-pyrazol-3-one

2-amino-5-(4-chlorophenyl)-1H-pyrazol-3-one (PubChem CID 20539645) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 2-amino-5-(4-chlorophenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-amino-5-(4-chlorophenyl)-1H-pyrazol-3-one
PubChem CID20539645
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name2-amino-5-(4-chlorophenyl)-1H-pyrazol-3-one
SMILESNn1[nH]c(-c2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C9H8ClN3O/c10-7-3-1-6(2-4-7)8-5-9(14)13(11)12-8/h1-5,12H,11H2
InChIKeyFVJHTMTWTJOYSE-UHFFFAOYSA-N
XLogP1.21
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-5-(4-chlorophenyl)-1H-pyrazol-3-one 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 2-amino-5-(4-chlorophenyl)-1H-pyrazol-3-one?
The IUPAC name of 2-amino-5-(4-chlorophenyl)-1H-pyrazol-3-one (CID 20539645) is 2-amino-5-(4-chlorophenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-amino-5-(4-chlorophenyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-amino-5-(4-chlorophenyl)-1H-pyrazol-3-one is Nn1[nH]c(-c2ccc(Cl)cc2)cc1=O.
What is the InChIKey of 2-amino-5-(4-chlorophenyl)-1H-pyrazol-3-one?
The InChIKey is FVJHTMTWTJOYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c10-7-3-1-6(2-4-7)8-5-9(14)13(11)12-8/h1-5,12H,11H2.
What are the key properties of 2-amino-5-(4-chlorophenyl)-1H-pyrazol-3-one?
2-amino-5-(4-chlorophenyl)-1H-pyrazol-3-one has a molecular weight of 209.64 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-chlorophenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 20539645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).