N-[2-[(1,3-diphenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C29H27N5O3 — CID 26424816

IUPACN-[2-[(1,3-diphenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C29H27N5O3/c35-26(19-31-29(37)22-13-15-24(16-14-22)33-17-7-12-27(33)36)30-18-23-20-34(25-10-5-2-6-11-25)32-28(23)21-8-3-1-4-9-21/h1-6,8-11,13-16,20H,7,12,17-19H2,(H,30,35)(H,31,37)
InChIKeyFWQIWUOKJYBDSW-UHFFFAOYSA-N
MW493.57 g/mol
LogP3.71
Rot. Bonds8

About N-[2-[(1,3-diphenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-[(1,3-diphenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 26424816) has the molecular formula C29H27N5O3 and a molecular weight of 493.57 g/mol. Its IUPAC name is N-[2-[(1,3-diphenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-[(1,3-diphenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID26424816
Molecular FormulaC29H27N5O3
Molecular Weight493.57 g/mol
Exact Mass493.21
IUPAC NameN-[2-[(1,3-diphenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C29H27N5O3/c35-26(19-31-29(37)22-13-15-24(16-14-22)33-17-7-12-27(33)36)30-18-23-20-34(25-10-5-2-6-11-25)32-28(23)21-8-3-1-4-9-21/h1-6,8-11,13-16,20H,7,12,17-19H2,(H,30,35)(H,31,37)
InChIKeyFWQIWUOKJYBDSW-UHFFFAOYSA-N
XLogP3.71
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 27864271
4-(2-oxopyrrolidin-1-yl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 17442772
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 35075194
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
3-fluoro-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]benzamide
CID 24551889
N-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 41375622
N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 38295305
N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24637861
N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 43043526
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 17431965

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,3-diphenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-[(1,3-diphenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 26424816) is N-[2-[(1,3-diphenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-[(1,3-diphenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-[(1,3-diphenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[2-[(1,3-diphenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is FWQIWUOKJYBDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O3/c35-26(19-31-29(37)22-13-15-24(16-14-22)33-17-7-12-27(33)36)30-18-23-20-34(25-10-5-2-6-11-25)32-28(23)21-8-3-1-4-9-21/h1-6,8-11,13-16,20H,7,12,17-19H2,(H,30,35)(H,31,37).
What are the key properties of N-[2-[(1,3-diphenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-[(1,3-diphenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 493.57 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,3-diphenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 26424816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).