N-[(1-benzylpyrazol-4-yl)methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide

C23H26N4O2S — CID 45228319

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide
SMILESO=C(CCC1(Cc2cccs2)CCC(=O)N1)NCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C23H26N4O2S/c28-21(8-10-23(11-9-22(29)26-23)13-20-7-4-12-30-20)24-14-19-15-25-27(17-19)16-18-5-2-1-3-6-18/h1-7,12,15,17H,8-11,13-14,16H2,(H,24,28)(H,26,29)
InChIKeyOWOZNYCVUIAZBK-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.28
Rot. Bonds9

About N-[(1-benzylpyrazol-4-yl)methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide

N-[(1-benzylpyrazol-4-yl)methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide (PubChem CID 45228319) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide
PubChem CID45228319
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide
SMILESO=C(CCC1(Cc2cccs2)CCC(=O)N1)NCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C23H26N4O2S/c28-21(8-10-23(11-9-22(29)26-23)13-20-7-4-12-30-20)24-14-19-15-25-27(17-19)16-18-5-2-1-3-6-18/h1-7,12,15,17H,8-11,13-14,16H2,(H,24,28)(H,26,29)
InChIKeyOWOZNYCVUIAZBK-UHFFFAOYSA-N
XLogP3.28
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 42429502
N-benzyl-3-(2-benzyl-5-oxopyrrolidin-2-yl)propanamide
CID 45238839
3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 42368132
3-[(2R)-2-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]propanamide
CID 26277595
3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-N-(2-pyridin-3-yloxyethyl)propanamide
CID 42247455
N-[(1-ethylpyrazol-4-yl)methyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 45169113
3-[2-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid
CID 91786804
3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]-N-[(4-phenyl-1,3-thiazol-5-yl)methyl]propanamide
CID 45170362
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide
CID 42371762
3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-3-ylmethyl)propanamide
CID 45185306
3-[(2S)-2-(1,3-benzodioxol-5-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 26341331
N-[(4-fluorophenyl)methyl]-3-[(2R)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 26278897

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide (CID 45228319) is N-[(1-benzylpyrazol-4-yl)methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide is O=C(CCC1(Cc2cccs2)CCC(=O)N1)NCc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide?
The InChIKey is OWOZNYCVUIAZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c28-21(8-10-23(11-9-22(29)26-23)13-20-7-4-12-30-20)24-14-19-15-25-27(17-19)16-18-5-2-1-3-6-18/h1-7,12,15,17H,8-11,13-14,16H2,(H,24,28)(H,26,29).
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide?
N-[(1-benzylpyrazol-4-yl)methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide has a molecular weight of 422.55 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide is sourced from PubChem (CID 45228319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).