(3S)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C24H26N4O2S — CID 97104827

IUPAC(3S)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCc1cc(-c2cccs2)n(C2CCCC2)n1)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C24H26N4O2S/c29-23-13-17(16-27(23)19-7-2-1-3-8-19)24(30)25-15-18-14-21(22-11-6-12-31-22)28(26-18)20-9-4-5-10-20/h1-3,6-8,11-12,14,17,20H,4-5,9-10,13,15-16H2,(H,25,30)/t17-/m0/s1
InChIKeyNSDMWLYPTXENJG-KRWDZBQOSA-N
MW434.57 g/mol
LogP4.40
Rot. Bonds6

About (3S)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

(3S)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 97104827) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is (3S)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID97104827
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC Name(3S)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCc1cc(-c2cccs2)n(C2CCCC2)n1)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C24H26N4O2S/c29-23-13-17(16-27(23)19-7-2-1-3-8-19)24(30)25-15-18-14-21(22-11-6-12-31-22)28(26-18)20-9-4-5-10-20/h1-3,6-8,11-12,14,17,20H,4-5,9-10,13,15-16H2,(H,25,30)/t17-/m0/s1
InChIKeyNSDMWLYPTXENJG-KRWDZBQOSA-N
XLogP4.40
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide
CID 71797459
(3S)-5-oxo-1-phenyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrrolidine-3-carboxamide
CID 51896061
N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide
CID 71797450
1-cyclopentyl-5-thiophen-2-ylpyrazole-3-carboxylic acid
CID 82302693
(3R)-1-(4-hydroxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 41468767
5-oxo-1-phenyl-N-(thiophen-2-ylmethylideneamino)pyrrolidine-3-carboxamide
CID 2883253
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanecarboxamide
CID 90555260
(3R)-N-[(2-chlorophenyl)methyl]-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 92746728
2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid
CID 42569448
(3S)-N-[(2-methylphenyl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40978837
1-cyclopentyl-5-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 78833389
1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 90555086

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 97104827) is (3S)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(NCc1cc(-c2cccs2)n(C2CCCC2)n1)[C@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (3S)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is NSDMWLYPTXENJG-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H26N4O2S/c29-23-13-17(16-27(23)19-7-2-1-3-8-19)24(30)25-15-18-14-21(22-11-6-12-31-22)28(26-18)20-9-4-5-10-20/h1-3,6-8,11-12,14,17,20H,4-5,9-10,13,15-16H2,(H,25,30)/t17-/m0/s1.
What are the key properties of (3S)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3S)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 97104827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).