3-(1-cyclopentylpyrazol-3-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-ol

C15H24N2O3S — CID 66025176

IUPAC3-(1-cyclopentylpyrazol-3-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-ol
SMILESO=S1(=O)CCC(C(CO)Cc2ccn(C3CCCC3)n2)C1
InChIInChI=1S/C15H24N2O3S/c18-10-13(12-6-8-21(19,20)11-12)9-14-5-7-17(16-14)15-3-1-2-4-15/h5,7,12-13,15,18H,1-4,6,8-11H2
InChIKeyLCKYJRLVSCHYOL-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.58
Rot. Bonds5

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

3-(1-cyclopentylpyrazol-3-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-ol (PubChem CID 66025176) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-(1-cyclopentylpyrazol-3-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-cyclopentylpyrazol-3-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-ol
PubChem CID66025176
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-(1-cyclopentylpyrazol-3-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-ol
SMILESO=S1(=O)CCC(C(CO)Cc2ccn(C3CCCC3)n2)C1
InChIInChI=1S/C15H24N2O3S/c18-10-13(12-6-8-21(19,20)11-12)9-14-5-7-17(16-14)15-3-1-2-4-15/h5,7,12-13,15,18H,1-4,6,8-11H2
InChIKeyLCKYJRLVSCHYOL-UHFFFAOYSA-N
XLogP1.58
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-cyclohexylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 65020189
2-cyclopentyl-3-(1-cyclopentylpyrazol-3-yl)propan-1-amine
CID 112569583
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,1-dioxothian-3-amine
CID 64799368
3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine
CID 112562613
1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634
4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one
CID 64784583
(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid
CID 106702721
2-(1-cyclopentylpyrazol-3-yl)-1-(4-ethylcyclohexyl)ethanol
CID 65393519
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
dimethyl 2-[(1-cyclopentylpyrazol-3-yl)methyl]propanedioate
CID 103972375
1-(4-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 64784263
3-[(1-cyclopentylpyrazol-3-yl)methyl]pentan-2-one
CID 64784585

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentylpyrazol-3-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-ol?
The IUPAC name of 3-(1-cyclopentylpyrazol-3-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-ol (CID 66025176) is 3-(1-cyclopentylpyrazol-3-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-ol.
What is the SMILES notation for 3-(1-cyclopentylpyrazol-3-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-ol?
The canonical SMILES for 3-(1-cyclopentylpyrazol-3-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-ol is O=S1(=O)CCC(C(CO)Cc2ccn(C3CCCC3)n2)C1.
What is the InChIKey of 3-(1-cyclopentylpyrazol-3-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-ol?
The InChIKey is LCKYJRLVSCHYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c18-10-13(12-6-8-21(19,20)11-12)9-14-5-7-17(16-14)15-3-1-2-4-15/h5,7,12-13,15,18H,1-4,6,8-11H2.
What are the key properties of 3-(1-cyclopentylpyrazol-3-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-ol?
3-(1-cyclopentylpyrazol-3-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-ol has a molecular weight of 312.44 g/mol, XLogP of 1.58, 5 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)-2-(1,1-dioxothiolan-3-yl)propan-1-ol is sourced from PubChem (CID 66025176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).