(2R)-3-cyclopentyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-(3-methylsulfonylphenyl)propanamide

C22H31N3O4S — CID 67190211

IUPAC(2R)-3-cyclopentyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-(3-methylsulfonylphenyl)propanamide
SMILESCC(C)(O)Cn1ccc(NC(=O)[C@H](CC2CCCC2)c2cccc(S(C)(=O)=O)c2)n1
InChIInChI=1S/C22H31N3O4S/c1-22(2,27)15-25-12-11-20(24-25)23-21(26)19(13-16-7-4-5-8-16)17-9-6-10-18(14-17)30(3,28)29/h6,9-12,14,16,19,27H,4-5,7-8,13,15H2,1-3H3,(H,23,24,26)/t19-/m1/s1
InChIKeyZGTVIZQABARELH-LJQANCHMSA-N
MW433.57 g/mol
LogP3.36
Rot. Bonds8

About (2R)-3-cyclopentyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-(3-methylsulfonylphenyl)propanamide

(2R)-3-cyclopentyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-(3-methylsulfonylphenyl)propanamide (PubChem CID 67190211) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is (2R)-3-cyclopentyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-(3-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-3-cyclopentyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-(3-methylsulfonylphenyl)propanamide
PubChem CID67190211
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC Name(2R)-3-cyclopentyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-(3-methylsulfonylphenyl)propanamide
SMILESCC(C)(O)Cn1ccc(NC(=O)[C@H](CC2CCCC2)c2cccc(S(C)(=O)=O)c2)n1
InChIInChI=1S/C22H31N3O4S/c1-22(2,27)15-25-12-11-20(24-25)23-21(26)19(13-16-7-4-5-8-16)17-9-6-10-18(14-17)30(3,28)29/h6,9-12,14,16,19,27H,4-5,7-8,13,15H2,1-3H3,(H,23,24,26)/t19-/m1/s1
InChIKeyZGTVIZQABARELH-LJQANCHMSA-N
XLogP3.36
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopentyl-2-(3,4-dichlorophenyl)-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide
CID 67189739
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-(2,3-dihydroxy-3-methylbutyl)pyrazol-3-yl]propanamide
CID 67189504
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1-ethylpyrazol-3-yl)propanamide
CID 24889669
2-(3-chloro-4-methylsulfonylphenyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-cyclopentylpropanamide
CID 67188657
2-(3-chloro-4-methylsulfonylphenyl)-3-(3,3-difluorocyclopentyl)-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide
CID 74346209
(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-[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-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 67188862
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-[(2R)-oxolan-2-yl]propanamide
CID 67188736
(2R)-N-[1-[(3-acetamidophenyl)methyl]pyrazol-3-yl]-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanamide
CID 67188960

Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclopentyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-(3-methylsulfonylphenyl)propanamide?
The IUPAC name of (2R)-3-cyclopentyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-(3-methylsulfonylphenyl)propanamide (CID 67190211) is (2R)-3-cyclopentyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-(3-methylsulfonylphenyl)propanamide.
What is the SMILES notation for (2R)-3-cyclopentyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-(3-methylsulfonylphenyl)propanamide?
The canonical SMILES for (2R)-3-cyclopentyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-(3-methylsulfonylphenyl)propanamide is CC(C)(O)Cn1ccc(NC(=O)[C@H](CC2CCCC2)c2cccc(S(C)(=O)=O)c2)n1.
What is the InChIKey of (2R)-3-cyclopentyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-(3-methylsulfonylphenyl)propanamide?
The InChIKey is ZGTVIZQABARELH-LJQANCHMSA-N. The full InChI is InChI=1S/C22H31N3O4S/c1-22(2,27)15-25-12-11-20(24-25)23-21(26)19(13-16-7-4-5-8-16)17-9-6-10-18(14-17)30(3,28)29/h6,9-12,14,16,19,27H,4-5,7-8,13,15H2,1-3H3,(H,23,24,26)/t19-/m1/s1.
What are the key properties of (2R)-3-cyclopentyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-(3-methylsulfonylphenyl)propanamide?
(2R)-3-cyclopentyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-(3-methylsulfonylphenyl)propanamide has a molecular weight of 433.57 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclopentyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-(3-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 67190211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).