3-(1-cyclopentylpyrazol-3-yl)-1,1-diethoxypropan-2-ol

C15H26N2O3 — CID 79495174

IUPAC3-(1-cyclopentylpyrazol-3-yl)-1,1-diethoxypropan-2-ol
SMILESCCOC(OCC)C(O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C15H26N2O3/c1-3-19-15(20-4-2)14(18)11-12-9-10-17(16-12)13-7-5-6-8-13/h9-10,13-15,18H,3-8,11H2,1-2H3
InChIKeyLGMRKWKIUAAUME-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.30
Rot. Bonds8

About 3-(1-cyclopentylpyrazol-3-yl)-1,1-diethoxypropan-2-ol

3-(1-cyclopentylpyrazol-3-yl)-1,1-diethoxypropan-2-ol (PubChem CID 79495174) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-(1-cyclopentylpyrazol-3-yl)-1,1-diethoxypropan-2-ol.

Molecular Properties

Compound Name3-(1-cyclopentylpyrazol-3-yl)-1,1-diethoxypropan-2-ol
PubChem CID79495174
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-(1-cyclopentylpyrazol-3-yl)-1,1-diethoxypropan-2-ol
SMILESCCOC(OCC)C(O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C15H26N2O3/c1-3-19-15(20-4-2)14(18)11-12-9-10-17(16-12)13-7-5-6-8-13/h9-10,13-15,18H,3-8,11H2,1-2H3
InChIKeyLGMRKWKIUAAUME-UHFFFAOYSA-N
XLogP2.30
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-(1-cyclopentylpyrazol-3-yl)-1,1-diethoxypropan-2-ol 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-(1-cyclopentylpyrazol-3-yl)-1,1-diethoxypropan-2-yl]hydrazine
CID 105246329
1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol
CID 79616778
1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol
CID 103456685
1-(1-cyclopentylpyrazol-3-yl)-3-methoxyhexan-2-ol
CID 116711674
3-(aminomethyl)-1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-ol
CID 107443067
1-(1-cyclopentylpyrazol-3-yl)-3-ethoxy-N-methylbutan-2-amine
CID 64778824
1-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypropan-2-ol
CID 105102471
1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-ol
CID 64784919
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
2-(1-cyclopentylpyrazol-3-yl)-1-(4-ethylcyclohexyl)ethanol
CID 65393519
dimethyl 2-[(1-cyclopentylpyrazol-3-yl)methyl]propanedioate
CID 103972375

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentylpyrazol-3-yl)-1,1-diethoxypropan-2-ol?
The IUPAC name of 3-(1-cyclopentylpyrazol-3-yl)-1,1-diethoxypropan-2-ol (CID 79495174) is 3-(1-cyclopentylpyrazol-3-yl)-1,1-diethoxypropan-2-ol.
What is the SMILES notation for 3-(1-cyclopentylpyrazol-3-yl)-1,1-diethoxypropan-2-ol?
The canonical SMILES for 3-(1-cyclopentylpyrazol-3-yl)-1,1-diethoxypropan-2-ol is CCOC(OCC)C(O)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 3-(1-cyclopentylpyrazol-3-yl)-1,1-diethoxypropan-2-ol?
The InChIKey is LGMRKWKIUAAUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-19-15(20-4-2)14(18)11-12-9-10-17(16-12)13-7-5-6-8-13/h9-10,13-15,18H,3-8,11H2,1-2H3.
What are the key properties of 3-(1-cyclopentylpyrazol-3-yl)-1,1-diethoxypropan-2-ol?
3-(1-cyclopentylpyrazol-3-yl)-1,1-diethoxypropan-2-ol has a molecular weight of 282.38 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentylpyrazol-3-yl)-1,1-diethoxypropan-2-ol is sourced from PubChem (CID 79495174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).