1-(2-chlorophenyl)-5-ethyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-1,2,4-triazole-3-carboxamide

C18H19ClN4O2 — CID 95594224

IUPAC1-(2-chlorophenyl)-5-ethyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)N(C)[C@H](C)c2ccco2)nn1-c1ccccc1Cl
InChIInChI=1S/C18H19ClN4O2/c1-4-16-20-17(21-23(16)14-9-6-5-8-13(14)19)18(24)22(3)12(2)15-10-7-11-25-15/h5-12H,4H2,1-3H3/t12-/m1/s1
InChIKeyOFOSQCIYUIGGOM-GFCCVEGCSA-N
MW358.83 g/mol
LogP3.91
Rot. Bonds5

About 1-(2-chlorophenyl)-5-ethyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-1,2,4-triazole-3-carboxamide

1-(2-chlorophenyl)-5-ethyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 95594224) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-ethyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-ethyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-1,2,4-triazole-3-carboxamide
PubChem CID95594224
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name1-(2-chlorophenyl)-5-ethyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)N(C)[C@H](C)c2ccco2)nn1-c1ccccc1Cl
InChIInChI=1S/C18H19ClN4O2/c1-4-16-20-17(21-23(16)14-9-6-5-8-13(14)19)18(24)22(3)12(2)15-10-7-11-25-15/h5-12H,4H2,1-3H3/t12-/m1/s1
InChIKeyOFOSQCIYUIGGOM-GFCCVEGCSA-N
XLogP3.91
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-chlorophenyl)-5-ethyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

1-(2-chlorophenyl)-5-ethyl-N-methyl-N-[(1R)-1-pyridin-2-ylethyl]-1,2,4-triazole-3-carboxamide
CID 95594230
1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N,5-diethyl-1,2,4-triazole-3-carboxamide
CID 51129452
1-(2-chlorophenyl)-5-ethyl-N-(3-hydroxybutyl)-1,2,4-triazole-3-carboxamide
CID 111428960
2-[[1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]-cyclopropylamino]propanoic acid
CID 122067149
3-[[1-(2-chlorophenyl)-5-ethyl-1,2,4-triazole-3-carbonyl]amino]-3-phenylpropanoic acid
CID 71269064
1-(2-chlorophenyl)-5-ethyl-N-(oxan-4-yl)-1,2,4-triazole-3-carboxamide
CID 71934956
1-(2-chlorophenyl)-5-ethyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide
CID 120948347
3-[[1-(2-chlorophenyl)-5-ethyl-1,2,4-triazole-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 71268928
(3S)-4-[1-(2-chlorophenyl)-5-ethyl-1,2,4-triazole-3-carbonyl]morpholine-3-carboxylic acid
CID 125151688
N-(2-aminoethyl)-1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119385059
[1-(2-chlorophenyl)-5-ethyl-1,2,4-triazol-3-yl]-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methanone
CID 86874232
[1-(2-chlorophenyl)-5-ethyl-1,2,4-triazol-3-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 119032429

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-ethyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-ethyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-1,2,4-triazole-3-carboxamide (CID 95594224) is 1-(2-chlorophenyl)-5-ethyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-ethyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-ethyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)N(C)[C@H](C)c2ccco2)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5-ethyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is OFOSQCIYUIGGOM-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-4-16-20-17(21-23(16)14-9-6-5-8-13(14)19)18(24)22(3)12(2)15-10-7-11-25-15/h5-12H,4H2,1-3H3/t12-/m1/s1.
What are the key properties of 1-(2-chlorophenyl)-5-ethyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-1,2,4-triazole-3-carboxamide?
1-(2-chlorophenyl)-5-ethyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-ethyl-N-[(1R)-1-(furan-2-yl)ethyl]-N-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 95594224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).