N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentylpropanamide

C20H25ClN4O2S — CID 143616656

IUPACN-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentylpropanamide
SMILESCSc1ccc(C(CC2CCCC2)C(=O)Nc2ccn(CC(N)=O)n2)cc1Cl
InChIInChI=1S/C20H25ClN4O2S/c1-28-17-7-6-14(11-16(17)21)15(10-13-4-2-3-5-13)20(27)23-19-8-9-25(24-19)12-18(22)26/h6-9,11,13,15H,2-5,10,12H2,1H3,(H2,22,26)(H,23,24,27)
InChIKeyYFWDHJNMRFSAQD-UHFFFAOYSA-N
MW420.97 g/mol
LogP4.05
Rot. Bonds8

About N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentylpropanamide

N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentylpropanamide (PubChem CID 143616656) has the molecular formula C20H25ClN4O2S and a molecular weight of 420.97 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentylpropanamide
PubChem CID143616656
Molecular FormulaC20H25ClN4O2S
Molecular Weight420.97 g/mol
Exact Mass420.14
IUPAC NameN-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentylpropanamide
SMILESCSc1ccc(C(CC2CCCC2)C(=O)Nc2ccn(CC(N)=O)n2)cc1Cl
InChIInChI=1S/C20H25ClN4O2S/c1-28-17-7-6-14(11-16(17)21)15(10-13-4-2-3-5-13)20(27)23-19-8-9-25(24-19)12-18(22)26/h6-9,11,13,15H,2-5,10,12H2,1H3,(H2,22,26)(H,23,24,27)
InChIKeyYFWDHJNMRFSAQD-UHFFFAOYSA-N
XLogP4.05
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.97
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentyl-N-(1-propylpyrazol-3-yl)propanamide
CID 143616634
(2R)-2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentyl-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide
CID 143616639
3-cyclopentyl-2-(3,4-dichlorophenyl)-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide
CID 67189739
(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-[(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-[(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
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]propanamide
CID 67190733
(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

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentylpropanamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentylpropanamide (CID 143616656) is N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentylpropanamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentylpropanamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentylpropanamide is CSc1ccc(C(CC2CCCC2)C(=O)Nc2ccn(CC(N)=O)n2)cc1Cl.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentylpropanamide?
The InChIKey is YFWDHJNMRFSAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2S/c1-28-17-7-6-14(11-16(17)21)15(10-13-4-2-3-5-13)20(27)23-19-8-9-25(24-19)12-18(22)26/h6-9,11,13,15H,2-5,10,12H2,1H3,(H2,22,26)(H,23,24,27).
What are the key properties of N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentylpropanamide?
N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentylpropanamide has a molecular weight of 420.97 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentylpropanamide is sourced from PubChem (CID 143616656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).