1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-hydroxybutan-1-one

C10H15ClN2O2 — CID 106677630

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-hydroxybutan-1-one
SMILESCC(C)n1ncc(Cl)c1C(=O)CCCO
InChIInChI=1S/C10H15ClN2O2/c1-7(2)13-10(8(11)6-12-13)9(15)4-3-5-14/h6-7,14H,3-5H2,1-2H3
InChIKeyZQYYPXLJOXHJCW-UHFFFAOYSA-N
MW230.69 g/mol
LogP2.07
Rot. Bonds5

About 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-hydroxybutan-1-one

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-hydroxybutan-1-one (PubChem CID 106677630) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-hydroxybutan-1-one.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-hydroxybutan-1-one
PubChem CID106677630
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-hydroxybutan-1-one
SMILESCC(C)n1ncc(Cl)c1C(=O)CCCO
InChIInChI=1S/C10H15ClN2O2/c1-7(2)13-10(8(11)6-12-13)9(15)4-3-5-14/h6-7,14H,3-5H2,1-2H3
InChIKeyZQYYPXLJOXHJCW-UHFFFAOYSA-N
XLogP2.07
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-hydroxybutan-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

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)hexan-1-one
CID 115805024
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
CID 83876724
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-one
CID 105130702
4-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-phenylbutan-1-one
CID 114669252
3-(aminomethyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-one
CID 114670481
2-(4-aminophenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114668152
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214390
3-(4-aminophenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)butan-1-one
CID 114671255
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanone
CID 114639909
2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethylbutan-1-one
CID 114670309
2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-one
CID 114670189
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(diethylamino)-2-methylpropan-1-one
CID 114641067

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-hydroxybutan-1-one?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-hydroxybutan-1-one (CID 106677630) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-hydroxybutan-1-one.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-hydroxybutan-1-one?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-hydroxybutan-1-one is CC(C)n1ncc(Cl)c1C(=O)CCCO.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-hydroxybutan-1-one?
The InChIKey is ZQYYPXLJOXHJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-7(2)13-10(8(11)6-12-13)9(15)4-3-5-14/h6-7,14H,3-5H2,1-2H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-hydroxybutan-1-one?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-hydroxybutan-1-one has a molecular weight of 230.69 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-hydroxybutan-1-one is sourced from PubChem (CID 106677630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).