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

C21H22N4O3 — CID 52508319

IUPAC(3S)-1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccn(-c2ccccc2)n1)[C@H]1CC(=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)/t16-/m0/s1
InChIKeySCMISBSXNUIXIK-INIZCTEOSA-N
MW378.43 g/mol
LogP2.17
Rot. Bonds7

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

(3S)-1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 52508319) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is (3S)-1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID52508319
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name(3S)-1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccn(-c2ccccc2)n1)[C@H]1CC(=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)/t16-/m0/s1
InChIKeySCMISBSXNUIXIK-INIZCTEOSA-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

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Related Compounds

1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 47092744
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 (3S)-1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide (CID 52508319) is (3S)-1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide is O=C(NCCc1ccn(-c2ccccc2)n1)[C@H]1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of (3S)-1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is SCMISBSXNUIXIK-INIZCTEOSA-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)/t16-/m0/s1.
What are the key properties of (3S)-1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide?
(3S)-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 (3S)-1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 52508319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).