2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-(3-hydroxy-3-methylbutanoyl)pyrazol-3-yl]propanamide

C23H30ClN3O5S — CID 67189955

IUPAC2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-(3-hydroxy-3-methylbutanoyl)pyrazol-3-yl]propanamide
SMILESCC(C)(O)CC(=O)n1ccc(NC(=O)C(CC2CCCC2)c2ccc(S(C)(=O)=O)c(Cl)c2)n1
InChIInChI=1S/C23H30ClN3O5S/c1-23(2,30)14-21(28)27-11-10-20(26-27)25-22(29)17(12-15-6-4-5-7-15)16-8-9-19(18(24)13-16)33(3,31)32/h8-11,13,15,17,30H,4-7,12,14H2,1-3H3,(H,25,26,29)
InChIKeyZYKCXYCWUUIKQL-UHFFFAOYSA-N
MW496.03 g/mol
LogP4.04
Rot. Bonds8

About 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-(3-hydroxy-3-methylbutanoyl)pyrazol-3-yl]propanamide

2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-(3-hydroxy-3-methylbutanoyl)pyrazol-3-yl]propanamide (PubChem CID 67189955) has the molecular formula C23H30ClN3O5S and a molecular weight of 496.03 g/mol. Its IUPAC name is 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-(3-hydroxy-3-methylbutanoyl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-(3-hydroxy-3-methylbutanoyl)pyrazol-3-yl]propanamide
PubChem CID67189955
Molecular FormulaC23H30ClN3O5S
Molecular Weight496.03 g/mol
Exact Mass495.16
IUPAC Name2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-(3-hydroxy-3-methylbutanoyl)pyrazol-3-yl]propanamide
SMILESCC(C)(O)CC(=O)n1ccc(NC(=O)C(CC2CCCC2)c2ccc(S(C)(=O)=O)c(Cl)c2)n1
InChIInChI=1S/C23H30ClN3O5S/c1-23(2,30)14-21(28)27-11-10-20(26-27)25-22(29)17(12-15-6-4-5-7-15)16-8-9-19(18(24)13-16)33(3,31)32/h8-11,13,15,17,30H,4-7,12,14H2,1-3H3,(H,25,26,29)
InChIKeyZYKCXYCWUUIKQL-UHFFFAOYSA-N
XLogP4.04
TPSA118.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.03
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)propanamide
CID 67189693
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1-ethylpyrazol-3-yl)propanamide
CID 24889669
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-(2,3-dihydroxy-3-methylbutyl)pyrazol-3-yl]propanamide
CID 67189504
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]propanamide
CID 67192146
2-(3-chloro-4-methylsulfonylphenyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-cyclopentylpropanamide
CID 67188657
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]propanamide
CID 67190733
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]propanamide
CID 67191233
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 67188862
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide
CID 67190636
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide
CID 67190634
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-(2-methyl-2-triethylsilyloxypropyl)pyrazol-3-yl]propanamide
CID 67189816
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]propanamide
CID 71169865

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-(3-hydroxy-3-methylbutanoyl)pyrazol-3-yl]propanamide?
The IUPAC name of 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-(3-hydroxy-3-methylbutanoyl)pyrazol-3-yl]propanamide (CID 67189955) is 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-(3-hydroxy-3-methylbutanoyl)pyrazol-3-yl]propanamide.
What is the SMILES notation for 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-(3-hydroxy-3-methylbutanoyl)pyrazol-3-yl]propanamide?
The canonical SMILES for 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-(3-hydroxy-3-methylbutanoyl)pyrazol-3-yl]propanamide is CC(C)(O)CC(=O)n1ccc(NC(=O)C(CC2CCCC2)c2ccc(S(C)(=O)=O)c(Cl)c2)n1.
What is the InChIKey of 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-(3-hydroxy-3-methylbutanoyl)pyrazol-3-yl]propanamide?
The InChIKey is ZYKCXYCWUUIKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O5S/c1-23(2,30)14-21(28)27-11-10-20(26-27)25-22(29)17(12-15-6-4-5-7-15)16-8-9-19(18(24)13-16)33(3,31)32/h8-11,13,15,17,30H,4-7,12,14H2,1-3H3,(H,25,26,29).
What are the key properties of 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-(3-hydroxy-3-methylbutanoyl)pyrazol-3-yl]propanamide?
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-(3-hydroxy-3-methylbutanoyl)pyrazol-3-yl]propanamide has a molecular weight of 496.03 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-(3-hydroxy-3-methylbutanoyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 67189955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).