1-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]propan-1-ol

C10H16N2O3S — CID 62729829

IUPAC1-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C10H16N2O3S/c1-2-10(13)8-5-11-12(6-8)9-3-4-16(14,15)7-9/h5-6,9-10,13H,2-4,7H2,1H3
InChIKeyDQKGJXOZRCNWPS-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.69
Rot. Bonds3

About 1-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]propan-1-ol

1-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]propan-1-ol (PubChem CID 62729829) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]propan-1-ol
PubChem CID62729829
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name1-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C10H16N2O3S/c1-2-10(13)8-5-11-12(6-8)9-3-4-16(14,15)7-9/h5-6,9-10,13H,2-4,7H2,1H3
InChIKeyDQKGJXOZRCNWPS-UHFFFAOYSA-N
XLogP0.69
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-ethylcyclohexyl)pyrazol-4-yl]propan-1-ol
CID 64775504
3-(4-bromopyrazol-1-yl)thiolane 1,1-dioxide
CID 61057040
1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxylic acid
CID 24689706
3-(4-methylpyrazol-1-yl)thiane 1,1-dioxide
CID 84734851
(1R)-2-amino-1-(1-cyclobutylpyrazol-4-yl)ethanol
CID 165499325
2-(1-cyclopropylpyrazol-4-yl)butanoic acid
CID 84773136
1-[1-(cyclopropylmethyl)pyrazol-4-yl]propan-1-ol
CID 62732009
3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]thiolane 1,1-dioxide
CID 67050635
(3R)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]thiolane 1,1-dioxide
CID 99775691
3-[4-(4-iodophenyl)pyrazol-1-yl]thiolane 1,1-dioxide
CID 79784925
[1-[(3R)-1,1-dioxothiolan-3-yl]pyrazol-4-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 94817945
2-(4-butylphenyl)-N-[[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]methyl]ethanamine
CID 154869262

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]propan-1-ol (CID 62729829) is 1-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]propan-1-ol is CCC(O)c1cnn(C2CCS(=O)(=O)C2)c1.
What is the InChIKey of 1-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]propan-1-ol?
The InChIKey is DQKGJXOZRCNWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-2-10(13)8-5-11-12(6-8)9-3-4-16(14,15)7-9/h5-6,9-10,13H,2-4,7H2,1H3.
What are the key properties of 1-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]propan-1-ol?
1-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]propan-1-ol has a molecular weight of 244.32 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 62729829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).