2-[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-3-yl]ethanol

C10H16ClN3O3S — CID 114150469

IUPAC2-[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-3-yl]ethanol
SMILESCn1ncc(Cl)c1S(=O)(=O)N1CCC(CCO)C1
InChIInChI=1S/C10H16ClN3O3S/c1-13-10(9(11)6-12-13)18(16,17)14-4-2-8(7-14)3-5-15/h6,8,15H,2-5,7H2,1H3
InChIKeyCKDZHHAEJYKHHA-UHFFFAOYSA-N
MW293.78 g/mol
LogP0.47
Rot. Bonds4

About 2-[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-3-yl]ethanol

2-[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-3-yl]ethanol (PubChem CID 114150469) has the molecular formula C10H16ClN3O3S and a molecular weight of 293.78 g/mol. Its IUPAC name is 2-[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-3-yl]ethanol
PubChem CID114150469
Molecular FormulaC10H16ClN3O3S
Molecular Weight293.78 g/mol
Exact Mass293.06
IUPAC Name2-[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-3-yl]ethanol
SMILESCn1ncc(Cl)c1S(=O)(=O)N1CCC(CCO)C1
InChIInChI=1S/C10H16ClN3O3S/c1-13-10(9(11)6-12-13)18(16,17)14-4-2-8(7-14)3-5-15/h6,8,15H,2-5,7H2,1H3
InChIKeyCKDZHHAEJYKHHA-UHFFFAOYSA-N
XLogP0.47
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-3-yl]ethanol (CID 114150469) is 2-[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-3-yl]ethanol is Cn1ncc(Cl)c1S(=O)(=O)N1CCC(CCO)C1.
What is the InChIKey of 2-[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-3-yl]ethanol?
The InChIKey is CKDZHHAEJYKHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3S/c1-13-10(9(11)6-12-13)18(16,17)14-4-2-8(7-14)3-5-15/h6,8,15H,2-5,7H2,1H3.
What are the key properties of 2-[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-3-yl]ethanol?
2-[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-3-yl]ethanol has a molecular weight of 293.78 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114150469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).