1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide

C20H20ClN5O3 — CID 78858054

IUPAC1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCc1nc(C(=O)N2CCCC2C(=O)NCc2ccco2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN5O3/c1-13-23-18(24-26(13)15-8-6-14(21)7-9-15)20(28)25-10-2-5-17(25)19(27)22-12-16-4-3-11-29-16/h3-4,6-9,11,17H,2,5,10,12H2,1H3,(H,22,27)
InChIKeySGBCJVKVRJPOPW-UHFFFAOYSA-N
MW413.87 g/mol
LogP2.74
Rot. Bonds5

About 1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide

1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 78858054) has the molecular formula C20H20ClN5O3 and a molecular weight of 413.87 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID78858054
Molecular FormulaC20H20ClN5O3
Molecular Weight413.87 g/mol
Exact Mass413.13
IUPAC Name1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCc1nc(C(=O)N2CCCC2C(=O)NCc2ccco2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN5O3/c1-13-23-18(24-26(13)15-8-6-14(21)7-9-15)20(28)25-10-2-5-17(25)19(27)22-12-16-4-3-11-29-16/h3-4,6-9,11,17H,2,5,10,12H2,1H3,(H,22,27)
InChIKeySGBCJVKVRJPOPW-UHFFFAOYSA-N
XLogP2.74
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.87
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-N-(furan-2-ylmethyl)pyrrolidine-2-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

[1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 78866401
(2S)-1-N-(4-chlorophenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1468967
1-(2-bromo-5-chlorobenzoyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 78858029
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone
CID 9489639
(2S)-1-(2,4-dimethylbenzoyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95292121
1-(2-ethyl-1,3-thiazole-5-carbonyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 86847544
(2R)-1-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 1084870
(2R)-1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 94826679
(2R)-N-(furan-2-ylmethyl)-1-[2-(2-methylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 95148543
tert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate
CID 51147296
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrole-3-carbonyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 167769833
4-[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120672807

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide (CID 78858054) is 1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide is Cc1nc(C(=O)N2CCCC2C(=O)NCc2ccco2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is SGBCJVKVRJPOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O3/c1-13-23-18(24-26(13)15-8-6-14(21)7-9-15)20(28)25-10-2-5-17(25)19(27)22-12-16-4-3-11-29-16/h3-4,6-9,11,17H,2,5,10,12H2,1H3,(H,22,27).
What are the key properties of 1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide?
1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 413.87 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 78858054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).