[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone

C17H21N3O2 — CID 118741514

IUPAC[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone
SMILESCCc1ccccc1-n1cc(O)c(C(=O)N2CCCCC2)n1
InChIInChI=1S/C17H21N3O2/c1-2-13-8-4-5-9-14(13)20-12-15(21)16(18-20)17(22)19-10-6-3-7-11-19/h4-5,8-9,12,21H,2-3,6-7,10-11H2,1H3
InChIKeyTUKCDLQYXREPGC-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.77
Rot. Bonds3

About [1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone

[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone (PubChem CID 118741514) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is [1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone
PubChem CID118741514
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone
SMILESCCc1ccccc1-n1cc(O)c(C(=O)N2CCCCC2)n1
InChIInChI=1S/C17H21N3O2/c1-2-13-8-4-5-9-14(13)20-12-15(21)16(18-20)17(22)19-10-6-3-7-11-19/h4-5,8-9,12,21H,2-3,6-7,10-11H2,1H3
InChIKeyTUKCDLQYXREPGC-UHFFFAOYSA-N
XLogP2.77
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone 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-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 166359098
1-(2-ethylphenyl)-4-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyrazole-3-carboxamide
CID 111969959
[1-[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-phenylmethanone
CID 26080815
[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[1-(2,3-dimethylphenyl)-4-hydroxypyrazol-3-yl]methanone
CID 167890521
1-(2-ethylphenyl)-4-oxopyridazine-3-carboxylic acid
CID 63951805
1-(2-bromophenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 43133856
(4-hydroxy-1-phenylpyrazol-3-yl)-(4-phenylazepan-1-yl)methanone
CID 126788191
1-(2-ethylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid
CID 43318004
(4-hydroxy-1-phenylpyrazol-3-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119542663
azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone
CID 54861395
[4-hydroxy-1-(3-propan-2-ylphenyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 71873867
(4-hydroxy-1-phenylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576249

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone (CID 118741514) is [1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone is CCc1ccccc1-n1cc(O)c(C(=O)N2CCCCC2)n1.
What is the InChIKey of [1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is TUKCDLQYXREPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-13-8-4-5-9-14(13)20-12-15(21)16(18-20)17(22)19-10-6-3-7-11-19/h4-5,8-9,12,21H,2-3,6-7,10-11H2,1H3.
What are the key properties of [1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone?
[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 299.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 118741514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).