1-benzyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

C24H27N5O2 — CID 78806628

IUPAC1-benzyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)c1ccc(Cn2nccc2NC(=O)C2CC(=O)N(Cc3ccccc3)C2)cc1
InChIInChI=1S/C24H27N5O2/c1-27(2)21-10-8-19(9-11-21)16-29-22(12-13-25-29)26-24(31)20-14-23(30)28(17-20)15-18-6-4-3-5-7-18/h3-13,20H,14-17H2,1-2H3,(H,26,31)
InChIKeyGPWMBDIKWHNUKI-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.98
Rot. Bonds7

About 1-benzyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 78806628) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-benzyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID78806628
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name1-benzyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)c1ccc(Cn2nccc2NC(=O)C2CC(=O)N(Cc3ccccc3)C2)cc1
InChIInChI=1S/C24H27N5O2/c1-27(2)21-10-8-19(9-11-21)16-29-22(12-13-25-29)26-24(31)20-14-23(30)28(17-20)15-18-6-4-3-5-7-18/h3-13,20H,14-17H2,1-2H3,(H,26,31)
InChIKeyGPWMBDIKWHNUKI-UHFFFAOYSA-N
XLogP2.98
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 78845819
(3R)-1-(2-ethylphenyl)-5-oxo-N-[2-(2-phenylethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 52509395
5-oxo-1-(2-phenylethyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrrolidine-3-carboxamide
CID 51145908
N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43053914
N-[2-[4-(dimethylamino)phenyl]ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72864326
1-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-ethyl-1-methylurea
CID 75398712
1-(2,5-dimethoxyphenyl)-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 43059769
1-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 55600235
N-(2-benzyl-5-methylpyrazol-3-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 55551408
1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 2993497
(3S)-1-benzyl-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 29137132
N-(2-benzylphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42904791

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (CID 78806628) is 1-benzyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is CN(C)c1ccc(Cn2nccc2NC(=O)C2CC(=O)N(Cc3ccccc3)C2)cc1.
What is the InChIKey of 1-benzyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GPWMBDIKWHNUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-27(2)21-10-8-19(9-11-21)16-29-22(12-13-25-29)26-24(31)20-14-23(30)28(17-20)15-18-6-4-3-5-7-18/h3-13,20H,14-17H2,1-2H3,(H,26,31).
What are the key properties of 1-benzyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78806628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).