N-methyl-2-oxo-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide

C16H18N4O2 — CID 45214416

IUPACN-methyl-2-oxo-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1ccn[nH]1)C(=O)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C16H18N4O2/c1-19(11-12-7-9-17-18-12)15(21)14-8-10-20(16(14)22)13-5-3-2-4-6-13/h2-7,9,14H,8,10-11H2,1H3,(H,17,18)
InChIKeyVDWZXUMSGRWWLF-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.42
Rot. Bonds4

About N-methyl-2-oxo-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide

N-methyl-2-oxo-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 45214416) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-methyl-2-oxo-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID45214416
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-methyl-2-oxo-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1ccn[nH]1)C(=O)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C16H18N4O2/c1-19(11-12-7-9-17-18-12)15(21)14-8-10-20(16(14)22)13-5-3-2-4-6-13/h2-7,9,14H,8,10-11H2,1H3,(H,17,18)
InChIKeyVDWZXUMSGRWWLF-UHFFFAOYSA-N
XLogP1.42
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-methyl-2-oxo-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[methyl-(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]acetate
CID 45202877
(3S)-N-methyl-2-oxo-1-phenyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 97269100
(3S)-1-cyclohexyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 97220946
2-[[1-(3-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid
CID 119346670
2-[methyl-[2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carbonyl]amino]acetic acid
CID 119172571
(3S)-N-benzyl-1-(2-benzylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide
CID 93331810
N-methyl-5-oxo-1-(4-propan-2-ylphenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 72866826
1-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-methyl-2-oxopyrrolidine-3-carboxamide
CID 42863375
(3S)-1-(3,5-dimethoxyphenyl)-3-[methyl(1H-pyrazol-5-ylmethyl)amino]pyrrolidin-2-one
CID 124608907
2-methyl-5-[[methyl-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 125150129
2-[[1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid
CID 119346411
3-[[1-(3,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 136516200

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-2-oxo-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide (CID 45214416) is N-methyl-2-oxo-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-2-oxo-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide is CN(Cc1ccn[nH]1)C(=O)C1CCN(c2ccccc2)C1=O.
What is the InChIKey of N-methyl-2-oxo-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is VDWZXUMSGRWWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-19(11-12-7-9-17-18-12)15(21)14-8-10-20(16(14)22)13-5-3-2-4-6-13/h2-7,9,14H,8,10-11H2,1H3,(H,17,18).
What are the key properties of N-methyl-2-oxo-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide?
N-methyl-2-oxo-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 45214416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).