N-(1-benzylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C20H20N4O3 — CID 55946936

IUPACN-(1-benzylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C20H20N4O3/c25-19-9-16(12-23(19)14-18-7-4-8-27-18)20(26)22-17-10-21-24(13-17)11-15-5-2-1-3-6-15/h1-8,10,13,16H,9,11-12,14H2,(H,22,26)
InChIKeyUFKGUENVJRLRDJ-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.51
Rot. Bonds6

About N-(1-benzylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

N-(1-benzylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55946936) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55946936
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-(1-benzylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)C1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C20H20N4O3/c25-19-9-16(12-23(19)14-18-7-4-8-27-18)20(26)22-17-10-21-24(13-17)11-15-5-2-1-3-6-15/h1-8,10,13,16H,9,11-12,14H2,(H,22,26)
InChIKeyUFKGUENVJRLRDJ-UHFFFAOYSA-N
XLogP2.51
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39314628
1-(furan-2-ylmethyl)-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 42653905
N-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55341921
N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55336569
(3R)-N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 6931900
N-(1-benzylpyrazol-4-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 55983153
N-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42909280
N-(2,6-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 113183148
N-(3-acetamidophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51149894
N-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 17390517
1-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78768111
1-(furan-2-ylmethyl)-5-oxo-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrrolidine-3-carboxamide
CID 75801363

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 55946936) is N-(1-benzylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)C1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UFKGUENVJRLRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-19-9-16(12-23(19)14-18-7-4-8-27-18)20(26)22-17-10-21-24(13-17)11-15-5-2-1-3-6-15/h1-8,10,13,16H,9,11-12,14H2,(H,22,26).
What are the key properties of N-(1-benzylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
N-(1-benzylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55946936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).