[1-(1-cyclohexylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide

C15H24N4O3S — CID 138024559

IUPAC[1-(1-cyclohexylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCN(C(=O)c2cnn(C3CCCCC3)c2)C1
InChIInChI=1S/C15H24N4O3S/c16-23(21,22)11-12-6-7-18(9-12)15(20)13-8-17-19(10-13)14-4-2-1-3-5-14/h8,10,12,14H,1-7,9,11H2,(H2,16,21,22)
InChIKeyGFOBOZUVYXZKGF-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.14
Rot. Bonds4

About [1-(1-cyclohexylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide

[1-(1-cyclohexylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 138024559) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is [1-(1-cyclohexylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(1-cyclohexylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID138024559
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name[1-(1-cyclohexylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCN(C(=O)c2cnn(C3CCCCC3)c2)C1
InChIInChI=1S/C15H24N4O3S/c16-23(21,22)11-12-6-7-18(9-12)15(20)13-8-17-19(10-13)14-4-2-1-3-5-14/h8,10,12,14H,1-7,9,11H2,(H2,16,21,22)
InChIKeyGFOBOZUVYXZKGF-UHFFFAOYSA-N
XLogP1.14
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1-phenylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 119075063
[1-(3,4-dichlorobenzoyl)pyrrolidin-3-yl]methanesulfonamide
CID 118779062
[1-(2-thiophen-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 119059682
1-cyclohexylpyrazole-4-carbonyl chloride
CID 83814222
3-methoxy-5-[(3S)-3-(sulfamoylmethyl)pyrrolidine-1-carbonyl]benzoic acid
CID 126427180
[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 118760689
[1-(furan-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 118788568
[1-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 137340590
[(3S)-3-aminopyrrolidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 119934311
4-(3-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 112698154
[1-(4-methyl-1,2,5-thiadiazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 138810944
[1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 119071782

Frequently Asked Questions

What is the IUPAC name of [1-(1-cyclohexylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(1-cyclohexylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide (CID 138024559) is [1-(1-cyclohexylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(1-cyclohexylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(1-cyclohexylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CCN(C(=O)c2cnn(C3CCCCC3)c2)C1.
What is the InChIKey of [1-(1-cyclohexylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is GFOBOZUVYXZKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c16-23(21,22)11-12-6-7-18(9-12)15(20)13-8-17-19(10-13)14-4-2-1-3-5-14/h8,10,12,14H,1-7,9,11H2,(H2,16,21,22).
What are the key properties of [1-(1-cyclohexylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
[1-(1-cyclohexylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-cyclohexylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 138024559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).