2-benzyl-4-chloro-1H-pyrazol-5-one

C10H9ClN2O — CID 14986172

IUPAC2-benzyl-4-chloro-1H-pyrazol-5-one
SMILESO=c1[nH]n(Cc2ccccc2)cc1Cl
InChIInChI=1S/C10H9ClN2O/c11-9-7-13(12-10(9)14)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,14)
InChIKeyCTWZMHMORJCKTM-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.88
Rot. Bonds2

About 2-benzyl-4-chloro-1H-pyrazol-5-one

2-benzyl-4-chloro-1H-pyrazol-5-one (PubChem CID 14986172) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 2-benzyl-4-chloro-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-benzyl-4-chloro-1H-pyrazol-5-one
PubChem CID14986172
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name2-benzyl-4-chloro-1H-pyrazol-5-one
SMILESO=c1[nH]n(Cc2ccccc2)cc1Cl
InChIInChI=1S/C10H9ClN2O/c11-9-7-13(12-10(9)14)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,14)
InChIKeyCTWZMHMORJCKTM-UHFFFAOYSA-N
XLogP1.88
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-benzyl-4-chloro-1H-pyrazol-5-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-benzyl-4-chloro-1H-pyrazol-5-one?
The IUPAC name of 2-benzyl-4-chloro-1H-pyrazol-5-one (CID 14986172) is 2-benzyl-4-chloro-1H-pyrazol-5-one.
What is the SMILES notation for 2-benzyl-4-chloro-1H-pyrazol-5-one?
The canonical SMILES for 2-benzyl-4-chloro-1H-pyrazol-5-one is O=c1[nH]n(Cc2ccccc2)cc1Cl.
What is the InChIKey of 2-benzyl-4-chloro-1H-pyrazol-5-one?
The InChIKey is CTWZMHMORJCKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c11-9-7-13(12-10(9)14)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,14).
What are the key properties of 2-benzyl-4-chloro-1H-pyrazol-5-one?
2-benzyl-4-chloro-1H-pyrazol-5-one has a molecular weight of 208.65 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-chloro-1H-pyrazol-5-one is sourced from PubChem (CID 14986172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).