1-[4-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide

C22H21N5O3 — CID 56507284

IUPAC1-[4-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2ccc(NC(=O)C3CC(=O)N(Cc4ccccc4)C3)cc2)n1
InChIInChI=1S/C22H21N5O3/c23-21(29)19-10-11-27(25-19)18-8-6-17(7-9-18)24-22(30)16-12-20(28)26(14-16)13-15-4-2-1-3-5-15/h1-11,16H,12-14H2,(H2,23,29)(H,24,30)
InChIKeyVQYLHUWZIDVYTP-UHFFFAOYSA-N
MW403.44 g/mol
LogP1.96
Rot. Bonds6

About 1-[4-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide

1-[4-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide (PubChem CID 56507284) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 1-[4-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
PubChem CID56507284
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name1-[4-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2ccc(NC(=O)C3CC(=O)N(Cc4ccccc4)C3)cc2)n1
InChIInChI=1S/C22H21N5O3/c23-21(29)19-10-11-27(25-19)18-8-6-17(7-9-18)24-22(30)16-12-20(28)26(14-16)13-15-4-2-1-3-5-15/h1-11,16H,12-14H2,(H2,23,29)(H,24,30)
InChIKeyVQYLHUWZIDVYTP-UHFFFAOYSA-N
XLogP1.96
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 4811389
(3R)-1-benzyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2506973
1-benzyl-N-[4-(difluoromethylsulfanyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 24819833
(3S)-1-benzyl-5-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide
CID 29128951
methyl 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8018551
methyl 4-[[(3R)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8018544
ethyl 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 8885570
(3S)-1-benzyl-5-oxo-N-(3-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 92627923
(3R)-1-benzyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40606403
(3R)-1-benzyl-N-[4-(difluoromethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 8502653
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 42996257
(3S)-1-benzyl-N-(4-butoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523040

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[4-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide (CID 56507284) is 1-[4-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[4-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide is NC(=O)c1ccn(-c2ccc(NC(=O)C3CC(=O)N(Cc4ccccc4)C3)cc2)n1.
What is the InChIKey of 1-[4-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide?
The InChIKey is VQYLHUWZIDVYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c23-21(29)19-10-11-27(25-19)18-8-6-17(7-9-18)24-22(30)16-12-20(28)26(14-16)13-15-4-2-1-3-5-15/h1-11,16H,12-14H2,(H2,23,29)(H,24,30).
What are the key properties of 1-[4-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide?
1-[4-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 56507284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).