1-(1,3-diethylpyrazol-5-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-ol

C14H24N2O3S — CID 105108962

IUPAC1-(1,3-diethylpyrazol-5-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-ol
SMILESCCc1cc(CC(O)CC2CCS(=O)(=O)C2)n(CC)n1
InChIInChI=1S/C14H24N2O3S/c1-3-12-8-13(16(4-2)15-12)9-14(17)7-11-5-6-20(18,19)10-11/h8,11,14,17H,3-7,9-10H2,1-2H3
InChIKeyCNLGTDFMAYVPAM-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.19
Rot. Bonds6

About 1-(1,3-diethylpyrazol-5-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-ol

1-(1,3-diethylpyrazol-5-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-ol (PubChem CID 105108962) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-ol
PubChem CID105108962
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-ol
SMILESCCc1cc(CC(O)CC2CCS(=O)(=O)C2)n(CC)n1
InChIInChI=1S/C14H24N2O3S/c1-3-12-8-13(16(4-2)15-12)9-14(17)7-11-5-6-20(18,19)10-11/h8,11,14,17H,3-7,9-10H2,1-2H3
InChIKeyCNLGTDFMAYVPAM-UHFFFAOYSA-N
XLogP1.19
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-diethylpyrazol-5-yl)-3-(1,1-dioxothiolan-3-yl)propan-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

1-(1,3-diethylpyrazol-5-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-one
CID 105111236
1-(1,1-dioxothiolan-3-yl)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107065641
1-(1,1-dioxothiolan-3-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 113289702
1-(1,1-dioxothiolan-3-yl)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
CID 105108151
1-(1,3-diethylpyrazol-5-yl)decan-2-ol
CID 115815685
2-(1,1-dioxothiolan-3-yl)-1-(3-ethyltriazol-4-yl)ethanamine
CID 114213581
1-(1,1-dioxothiolan-3-yl)-3-ethoxypropan-2-ol
CID 105111757
1-bromo-3-(1,1-dioxothiolan-3-yl)propan-2-ol
CID 155010276
1-cyclopentyl-3-(1,1-dioxothiolan-3-yl)propan-2-ol
CID 105090384
2-(1,3-diethylpyrazol-5-yl)-1-(thian-3-yl)ethanol
CID 114283090
N-[4-(1,3-diethylpyrazol-5-yl)-3-methylbutyl]cyclopropanamine
CID 81018717
(1,3-diethylpyrazol-5-yl)-(4-methylcyclohexyl)methanol
CID 105102592

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-ol?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-ol (CID 105108962) is 1-(1,3-diethylpyrazol-5-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-ol.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-ol?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-ol is CCc1cc(CC(O)CC2CCS(=O)(=O)C2)n(CC)n1.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-ol?
The InChIKey is CNLGTDFMAYVPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-3-12-8-13(16(4-2)15-12)9-14(17)7-11-5-6-20(18,19)10-11/h8,11,14,17H,3-7,9-10H2,1-2H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-ol?
1-(1,3-diethylpyrazol-5-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-ol has a molecular weight of 300.42 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-ol is sourced from PubChem (CID 105108962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).