2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol

C14H23N3O3S — CID 79539460

IUPAC2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC1C1CCCC1O
InChIInChI=1S/C14H23N3O3S/c1-9-14(10(2)16-15-9)21(19,20)17-8-4-6-12(17)11-5-3-7-13(11)18/h11-13,18H,3-8H2,1-2H3,(H,15,16)
InChIKeyHKPFJPOTJHXXAF-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.34
Rot. Bonds3

About 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol

2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol (PubChem CID 79539460) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol
PubChem CID79539460
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCCC1C1CCCC1O
InChIInChI=1S/C14H23N3O3S/c1-9-14(10(2)16-15-9)21(19,20)17-8-4-6-12(17)11-5-3-7-13(11)18/h11-13,18H,3-8H2,1-2H3,(H,15,16)
InChIKeyHKPFJPOTJHXXAF-UHFFFAOYSA-N
XLogP1.34
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The IUPAC name of 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol (CID 79539460) is 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol is Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC1C1CCCC1O.
What is the InChIKey of 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The InChIKey is HKPFJPOTJHXXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-9-14(10(2)16-15-9)21(19,20)17-8-4-6-12(17)11-5-3-7-13(11)18/h11-13,18H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol?
2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol has a molecular weight of 313.42 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 79539460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).