2-hydroxy-1-(2-methylpyrazol-3-yl)pentan-1-one

C9H14N2O2 — CID 103453934

IUPAC2-hydroxy-1-(2-methylpyrazol-3-yl)pentan-1-one
SMILESCCCC(O)C(=O)c1ccnn1C
InChIInChI=1S/C9H14N2O2/c1-3-4-8(12)9(13)7-5-6-10-11(7)2/h5-6,8,12H,3-4H2,1-2H3
InChIKeyMNPIERRIVOLZLQ-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.76
Rot. Bonds4

About 2-hydroxy-1-(2-methylpyrazol-3-yl)pentan-1-one

2-hydroxy-1-(2-methylpyrazol-3-yl)pentan-1-one (PubChem CID 103453934) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-hydroxy-1-(2-methylpyrazol-3-yl)pentan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(2-methylpyrazol-3-yl)pentan-1-one
PubChem CID103453934
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-hydroxy-1-(2-methylpyrazol-3-yl)pentan-1-one
SMILESCCCC(O)C(=O)c1ccnn1C
InChIInChI=1S/C9H14N2O2/c1-3-4-8(12)9(13)7-5-6-10-11(7)2/h5-6,8,12H,3-4H2,1-2H3
InChIKeyMNPIERRIVOLZLQ-UHFFFAOYSA-N
XLogP0.76
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-1-(2-methylpyrazol-3-yl)pentan-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

2-ethoxy-1-(2-methylpyrazol-3-yl)pentan-1-one
CID 116707780
2,3-dimethyl-1-(2-methylpyrazol-3-yl)butan-1-one
CID 114972564
1-(2-methylpyrazol-3-yl)-2-phenylbutan-1-one
CID 114972525
1-(2-methylpyrazol-3-yl)-2-methylsulfonylpropan-1-one
CID 114972552
2-methyl-3-(methylamino)-1-(2-methylpyrazol-3-yl)propan-1-one
CID 116586751
ethanol;2-(2-methylpyrazol-3-yl)prop-2-enoic acid
CID 158798966
N-(1-aminopentan-3-yl)-2-methylpyrazole-3-carboxamide
CID 62921299
2-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 19475610
(2S)-2-hydroxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 107833827
1-(2-methylpyrazol-3-yl)dodecan-1-one
CID 114972635
2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one
CID 103451384
1-(2-methylpyrazol-3-yl)ethanone;hydrobromide
CID 140678632

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2-methylpyrazol-3-yl)pentan-1-one?
The IUPAC name of 2-hydroxy-1-(2-methylpyrazol-3-yl)pentan-1-one (CID 103453934) is 2-hydroxy-1-(2-methylpyrazol-3-yl)pentan-1-one.
What is the SMILES notation for 2-hydroxy-1-(2-methylpyrazol-3-yl)pentan-1-one?
The canonical SMILES for 2-hydroxy-1-(2-methylpyrazol-3-yl)pentan-1-one is CCCC(O)C(=O)c1ccnn1C.
What is the InChIKey of 2-hydroxy-1-(2-methylpyrazol-3-yl)pentan-1-one?
The InChIKey is MNPIERRIVOLZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-4-8(12)9(13)7-5-6-10-11(7)2/h5-6,8,12H,3-4H2,1-2H3.
What are the key properties of 2-hydroxy-1-(2-methylpyrazol-3-yl)pentan-1-one?
2-hydroxy-1-(2-methylpyrazol-3-yl)pentan-1-one has a molecular weight of 182.22 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2-methylpyrazol-3-yl)pentan-1-one is sourced from PubChem (CID 103453934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).