1-(4-chlorophenyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide

C22H21ClN4O2 — CID 78888339

IUPAC1-(4-chlorophenyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1cccc(CN2CCCC2=O)c1)c1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H21ClN4O2/c23-19-6-8-20(9-7-19)27-15-18(13-25-27)22(29)24-12-16-3-1-4-17(11-16)14-26-10-2-5-21(26)28/h1,3-4,6-9,11,13,15H,2,5,10,12,14H2,(H,24,29)
InChIKeyLVLYDZTVIUUXDL-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.58
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 78888339) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
PubChem CID78888339
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name1-(4-chlorophenyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1cccc(CN2CCCC2=O)c1)c1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H21ClN4O2/c23-19-6-8-20(9-7-19)27-15-18(13-25-27)22(29)24-12-16-3-1-4-17(11-16)14-26-10-2-5-21(26)28/h1,3-4,6-9,11,13,15H,2,5,10,12,14H2,(H,24,29)
InChIKeyLVLYDZTVIUUXDL-UHFFFAOYSA-N
XLogP3.58
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-nitrophenyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 78884283
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166182442
N-[(1-benzylpyrazol-4-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 86990134
4-(2-methylsulfanylimidazol-1-yl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 78888342
1-(4-bromophenyl)-N-[(3-bromophenyl)methyl]pyrazole-4-carboxamide
CID 50772799
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 55773493
1-[(3-methylphenyl)methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 38387385
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9036253
1-(4-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide
CID 55841094
1-acetyl-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166218488
4-(4-bromopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]benzamide
CID 55628846
3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide;hydrochloride
CID 119716935

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide (CID 78888339) is 1-(4-chlorophenyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide is O=C(NCc1cccc(CN2CCCC2=O)c1)c1cnn(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is LVLYDZTVIUUXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c23-19-6-8-20(9-7-19)27-15-18(13-25-27)22(29)24-12-16-3-1-4-17(11-16)14-26-10-2-5-21(26)28/h1,3-4,6-9,11,13,15H,2,5,10,12,14H2,(H,24,29).
What are the key properties of 1-(4-chlorophenyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 408.89 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 78888339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).