4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one

C10H15ClN2O — CID 64696503

IUPAC4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one
SMILESCC(=O)CC(C)n1nc(C)c(Cl)c1C
InChIInChI=1S/C10H15ClN2O/c1-6(5-7(2)14)13-9(4)10(11)8(3)12-13/h6H,5H2,1-4H3
InChIKeyBNEKTIUKVJSKOU-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.69
Rot. Bonds3

About 4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one

4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one (PubChem CID 64696503) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one
PubChem CID64696503
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one
SMILESCC(=O)CC(C)n1nc(C)c(Cl)c1C
InChIInChI=1S/C10H15ClN2O/c1-6(5-7(2)14)13-9(4)10(11)8(3)12-13/h6H,5H2,1-4H3
InChIKeyBNEKTIUKVJSKOU-UHFFFAOYSA-N
XLogP2.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-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 4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one?
The IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one (CID 64696503) is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one?
The canonical SMILES for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one is CC(=O)CC(C)n1nc(C)c(Cl)c1C.
What is the InChIKey of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one?
The InChIKey is BNEKTIUKVJSKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-6(5-7(2)14)13-9(4)10(11)8(3)12-13/h6H,5H2,1-4H3.
What are the key properties of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one?
4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one has a molecular weight of 214.70 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one is sourced from PubChem (CID 64696503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).