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

C21H22N4O3 — CID 47092744

IUPAC1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccn(-c2ccccc2)n1)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C21H22N4O3/c26-20-13-16(14-24(20)15-19-7-4-12-28-19)21(27)22-10-8-17-9-11-25(23-17)18-5-2-1-3-6-18/h1-7,9,11-12,16H,8,10,13-15H2,(H,22,27)
InChIKeySCMISBSXNUIXIK-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.17
Rot. Bonds7

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

1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 47092744) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID47092744
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccn(-c2ccccc2)n1)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C21H22N4O3/c26-20-13-16(14-24(20)15-19-7-4-12-28-19)21(27)22-10-8-17-9-11-25(23-17)18-5-2-1-3-6-18/h1-7,9,11-12,16H,8,10,13-15H2,(H,22,27)
InChIKeySCMISBSXNUIXIK-UHFFFAOYSA-N
XLogP2.17
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]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)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 52508319
N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 4780242
1-(furan-2-ylmethyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 42881863
N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55336569
1-benzyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 4803608
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
1-(furan-2-ylmethyl)-N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 111335248
(3S)-1-(furan-2-ylmethyl)-5-oxo-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]pyrrolidine-3-carboxamide
CID 95859560
(3S)-N-(furan-2-ylmethyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94021658
N'-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17232608
ethyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoate
CID 78800071
1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43011936

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide (CID 47092744) is 1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide is O=C(NCCc1ccn(-c2ccccc2)n1)C1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of 1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is SCMISBSXNUIXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-20-13-16(14-24(20)15-19-7-4-12-28-19)21(27)22-10-8-17-9-11-25(23-17)18-5-2-1-3-6-18/h1-7,9,11-12,16H,8,10,13-15H2,(H,22,27).
What are the key properties of 1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide?
1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 47092744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).