1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one

C10H15ClN2O — CID 114639264

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one
SMILESCCCC(=O)c1c(Cl)cnn1CCC
InChIInChI=1S/C10H15ClN2O/c1-3-5-9(14)10-8(11)7-12-13(10)6-4-2/h7H,3-6H2,1-2H3
InChIKeyHVLWXQAGAVZBEH-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.93
Rot. Bonds5

About 1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one

1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one (PubChem CID 114639264) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one
PubChem CID114639264
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one
SMILESCCCC(=O)c1c(Cl)cnn1CCC
InChIInChI=1S/C10H15ClN2O/c1-3-5-9(14)10-8(11)7-12-13(10)6-4-2/h7H,3-6H2,1-2H3
InChIKeyHVLWXQAGAVZBEH-UHFFFAOYSA-N
XLogP2.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one
CID 114668210
1-(4-chloro-1-propylpyrazol-5-yl)octan-1-one
CID 115805677
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-one
CID 114639261
6-amino-1-(4-chloro-1-propylpyrazol-5-yl)hexan-1-one
CID 114668173
6-amino-1-(4-chloro-1-propylpyrazol-5-yl)-4-ethylhexan-1-one
CID 114669598
1-(4-chloro-1-propylpyrazol-5-yl)-3-pyridin-3-ylpropan-1-one
CID 105130900
1-(4-chloro-1-propylpyrazol-5-yl)-2-(2-methylpropylsulfanyl)ethanone
CID 114640482
(4-chloro-1-propylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methanone
CID 114642103
2-(azetidin-3-yl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanone
CID 114669802
1-(4-chloro-1-propylpyrazol-5-yl)-4-thiophen-2-ylbutan-1-one
CID 105130983
2-[1-(aminomethyl)cyclohexyl]-1-(4-chloro-1-propylpyrazol-5-yl)ethanone
CID 114671327
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-one
CID 115815131

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one (CID 114639264) is 1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one is CCCC(=O)c1c(Cl)cnn1CCC.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one?
The InChIKey is HVLWXQAGAVZBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-3-5-9(14)10-8(11)7-12-13(10)6-4-2/h7H,3-6H2,1-2H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one?
1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one has a molecular weight of 214.70 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one is sourced from PubChem (CID 114639264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).