5-(2-cyclohexylpyrrolidin-1-yl)sulfonyl-1,4-dimethylpyrazole

C15H25N3O2S — CID 138997140

IUPAC5-(2-cyclohexylpyrrolidin-1-yl)sulfonyl-1,4-dimethylpyrazole
SMILESCc1cnn(C)c1S(=O)(=O)N1CCCC1C1CCCCC1
InChIInChI=1S/C15H25N3O2S/c1-12-11-16-17(2)15(12)21(19,20)18-10-6-9-14(18)13-7-4-3-5-8-13/h11,13-14H,3-10H2,1-2H3
InChIKeyQLZZVPLDJWHBFF-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.46
Rot. Bonds3

About 5-(2-cyclohexylpyrrolidin-1-yl)sulfonyl-1,4-dimethylpyrazole

5-(2-cyclohexylpyrrolidin-1-yl)sulfonyl-1,4-dimethylpyrazole (PubChem CID 138997140) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 5-(2-cyclohexylpyrrolidin-1-yl)sulfonyl-1,4-dimethylpyrazole.

Molecular Properties

Compound Name5-(2-cyclohexylpyrrolidin-1-yl)sulfonyl-1,4-dimethylpyrazole
PubChem CID138997140
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name5-(2-cyclohexylpyrrolidin-1-yl)sulfonyl-1,4-dimethylpyrazole
SMILESCc1cnn(C)c1S(=O)(=O)N1CCCC1C1CCCCC1
InChIInChI=1S/C15H25N3O2S/c1-12-11-16-17(2)15(12)21(19,20)18-10-6-9-14(18)13-7-4-3-5-8-13/h11,13-14H,3-10H2,1-2H3
InChIKeyQLZZVPLDJWHBFF-UHFFFAOYSA-N
XLogP2.46
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexylpyrrolidin-1-yl)sulfonyl-1,4-dimethylpyrazole?
The IUPAC name of 5-(2-cyclohexylpyrrolidin-1-yl)sulfonyl-1,4-dimethylpyrazole (CID 138997140) is 5-(2-cyclohexylpyrrolidin-1-yl)sulfonyl-1,4-dimethylpyrazole.
What is the SMILES notation for 5-(2-cyclohexylpyrrolidin-1-yl)sulfonyl-1,4-dimethylpyrazole?
The canonical SMILES for 5-(2-cyclohexylpyrrolidin-1-yl)sulfonyl-1,4-dimethylpyrazole is Cc1cnn(C)c1S(=O)(=O)N1CCCC1C1CCCCC1.
What is the InChIKey of 5-(2-cyclohexylpyrrolidin-1-yl)sulfonyl-1,4-dimethylpyrazole?
The InChIKey is QLZZVPLDJWHBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12-11-16-17(2)15(12)21(19,20)18-10-6-9-14(18)13-7-4-3-5-8-13/h11,13-14H,3-10H2,1-2H3.
What are the key properties of 5-(2-cyclohexylpyrrolidin-1-yl)sulfonyl-1,4-dimethylpyrazole?
5-(2-cyclohexylpyrrolidin-1-yl)sulfonyl-1,4-dimethylpyrazole has a molecular weight of 311.45 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexylpyrrolidin-1-yl)sulfonyl-1,4-dimethylpyrazole is sourced from PubChem (CID 138997140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).