2-ethyl-2-hydroxy-1-(2-propylpyrazol-3-yl)butan-1-one

C12H20N2O2 — CID 103447030

IUPAC2-ethyl-2-hydroxy-1-(2-propylpyrazol-3-yl)butan-1-one
SMILESCCCn1nccc1C(=O)C(O)(CC)CC
InChIInChI=1S/C12H20N2O2/c1-4-9-14-10(7-8-13-14)11(15)12(16,5-2)6-3/h7-8,16H,4-6,9H2,1-3H3
InChIKeyLSUKTQDDKAOCSE-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.03
Rot. Bonds6

About 2-ethyl-2-hydroxy-1-(2-propylpyrazol-3-yl)butan-1-one

2-ethyl-2-hydroxy-1-(2-propylpyrazol-3-yl)butan-1-one (PubChem CID 103447030) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-ethyl-2-hydroxy-1-(2-propylpyrazol-3-yl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-2-hydroxy-1-(2-propylpyrazol-3-yl)butan-1-one
PubChem CID103447030
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-ethyl-2-hydroxy-1-(2-propylpyrazol-3-yl)butan-1-one
SMILESCCCn1nccc1C(=O)C(O)(CC)CC
InChIInChI=1S/C12H20N2O2/c1-4-9-14-10(7-8-13-14)11(15)12(16,5-2)6-3/h7-8,16H,4-6,9H2,1-3H3
InChIKeyLSUKTQDDKAOCSE-UHFFFAOYSA-N
XLogP2.03
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-2-hydroxy-1-(2-propylpyrazol-3-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

2-ethyl-1-(2-ethylpyrazol-3-yl)-2-hydroxybutan-1-one
CID 103447067
2,2-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-one
CID 114972349
2-propylpyrazole-3-carboxylic acid
CID 7017775
2-methyl-2-piperidin-1-yl-1-(2-propylpyrazol-3-yl)butan-1-one
CID 79065501
2-amino-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116551709
2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one
CID 103451384
(E)-1-(2-propylpyrazol-3-yl)but-2-en-1-one
CID 103453337
2-amino-2-ethyl-1-(2-ethylpyrazol-3-yl)butan-1-one
CID 116592620
4-(2-propylpyrazol-3-yl)heptan-4-ol
CID 114865852
azepan-1-yl-(2-propylpyrazol-3-yl)methanone
CID 35522312
3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one
CID 116612216
(2-propylpyrazol-3-yl)-pyridin-2-ylmethanone
CID 63976118

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-hydroxy-1-(2-propylpyrazol-3-yl)butan-1-one?
The IUPAC name of 2-ethyl-2-hydroxy-1-(2-propylpyrazol-3-yl)butan-1-one (CID 103447030) is 2-ethyl-2-hydroxy-1-(2-propylpyrazol-3-yl)butan-1-one.
What is the SMILES notation for 2-ethyl-2-hydroxy-1-(2-propylpyrazol-3-yl)butan-1-one?
The canonical SMILES for 2-ethyl-2-hydroxy-1-(2-propylpyrazol-3-yl)butan-1-one is CCCn1nccc1C(=O)C(O)(CC)CC.
What is the InChIKey of 2-ethyl-2-hydroxy-1-(2-propylpyrazol-3-yl)butan-1-one?
The InChIKey is LSUKTQDDKAOCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-9-14-10(7-8-13-14)11(15)12(16,5-2)6-3/h7-8,16H,4-6,9H2,1-3H3.
What are the key properties of 2-ethyl-2-hydroxy-1-(2-propylpyrazol-3-yl)butan-1-one?
2-ethyl-2-hydroxy-1-(2-propylpyrazol-3-yl)butan-1-one has a molecular weight of 224.30 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-hydroxy-1-(2-propylpyrazol-3-yl)butan-1-one is sourced from PubChem (CID 103447030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).