1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide

C21H22N4O3 — CID 51237803

IUPAC1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C21H22N4O3/c1-23(12-16-11-22-25(13-16)18-6-3-2-4-7-18)21(27)17-10-20(26)24(14-17)15-19-8-5-9-28-19/h2-9,11,13,17H,10,12,14-15H2,1H3
InChIKeyYOUZSVSKQAGRQM-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.47
Rot. Bonds6

About 1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide

1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 51237803) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID51237803
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C21H22N4O3/c1-23(12-16-11-22-25(13-16)18-6-3-2-4-7-18)21(27)17-10-20(26)24(14-17)15-19-8-5-9-28-19/h2-9,11,13,17H,10,12,14-15H2,1H3
InChIKeyYOUZSVSKQAGRQM-UHFFFAOYSA-N
XLogP2.47
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]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

(3S)-1-(furan-2-ylmethyl)-N-[(3-hydroxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 96998484
N-(1H-benzimidazol-2-ylmethyl)-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 55683049
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 131915151
5-[[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 125132033
(3R)-1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 42565397
N-ethyl-1-(furan-2-ylmethyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 75807645
1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 78770918
methyl 3-[benzyl-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
CID 55514579
(3S)-N-methyl-1,1-dioxo-N-[(1-phenylpyrazol-4-yl)methyl]thiolane-3-carboxamide
CID 8962417
(3R)-N-[(1-benzylpyrazol-4-yl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 94097512
N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 167961055
(3R)-1-benzyl-5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 42032570

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide (CID 51237803) is 1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)C1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of 1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is YOUZSVSKQAGRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-23(12-16-11-22-25(13-16)18-6-3-2-4-7-18)21(27)17-10-20(26)24(14-17)15-19-8-5-9-28-19/h2-9,11,13,17H,10,12,14-15H2,1H3.
What are the key properties of 1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 51237803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).