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

C17H22N4O3 — CID 71688509

IUPAC1-(furan-2-ylmethyl)-5-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)C1CCC(=O)N1Cc1ccco1
InChIInChI=1S/C17H22N4O3/c1-11-14(12(2)20(3)19-11)9-18-17(23)15-6-7-16(22)21(15)10-13-5-4-8-24-13/h4-5,8,15H,6-7,9-10H2,1-3H3,(H,18,23)
InChIKeyYCBXZPXJXDTUGI-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.44
Rot. Bonds5

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

1-(furan-2-ylmethyl)-5-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 71688509) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-5-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-5-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID71688509
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name1-(furan-2-ylmethyl)-5-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)C1CCC(=O)N1Cc1ccco1
InChIInChI=1S/C17H22N4O3/c1-11-14(12(2)20(3)19-11)9-18-17(23)15-6-7-16(22)21(15)10-13-5-4-8-24-13/h4-5,8,15H,6-7,9-10H2,1-3H3,(H,18,23)
InChIKeyYCBXZPXJXDTUGI-UHFFFAOYSA-N
XLogP1.44
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 7101882
(2R)-N-(cyclopentylmethyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 95738938
N-[2-(dimethylamino)-2-oxoethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 71688511
(2S)-1-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-2-carboxamide
CID 95738994
(2S)-1-(furan-2-ylmethyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 95738982
(2S)-N,N-diethyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 95738945
(2S)-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 95738978
1-(furan-2-ylmethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea
CID 17282055
(5R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 100802705
(5R)-5-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 124853639
1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one
CID 21364431
1-(furan-2-ylmethyl)-6-oxopiperidine-2-carboxylic acid
CID 117003684

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-5-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-5-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide (CID 71688509) is 1-(furan-2-ylmethyl)-5-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-5-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-5-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide is Cc1nn(C)c(C)c1CNC(=O)C1CCC(=O)N1Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-5-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is YCBXZPXJXDTUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11-14(12(2)20(3)19-11)9-18-17(23)15-6-7-16(22)21(15)10-13-5-4-8-24-13/h4-5,8,15H,6-7,9-10H2,1-3H3,(H,18,23).
What are the key properties of 1-(furan-2-ylmethyl)-5-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
1-(furan-2-ylmethyl)-5-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.44, 5 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-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 71688509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).