5-[[4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)triazol-1-yl]methyl]-N-methylfuran-2-carboxamide

C20H20N6O3 — CID 56711894

IUPAC5-[[4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)triazol-1-yl]methyl]-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1ccc(Cn2cc(-c3c(C)n(C)n(-c4ccccc4)c3=O)nn2)o1
InChIInChI=1S/C20H20N6O3/c1-13-18(20(28)26(24(13)3)14-7-5-4-6-8-14)16-12-25(23-22-16)11-15-9-10-17(29-15)19(27)21-2/h4-10,12H,11H2,1-3H3,(H,21,27)
InChIKeyVIJLEXLGQGBIOM-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.74
Rot. Bonds5

About 5-[[4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)triazol-1-yl]methyl]-N-methylfuran-2-carboxamide

5-[[4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)triazol-1-yl]methyl]-N-methylfuran-2-carboxamide (PubChem CID 56711894) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 5-[[4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)triazol-1-yl]methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[[4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)triazol-1-yl]methyl]-N-methylfuran-2-carboxamide
PubChem CID56711894
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name5-[[4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)triazol-1-yl]methyl]-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1ccc(Cn2cc(-c3c(C)n(C)n(-c4ccccc4)c3=O)nn2)o1
InChIInChI=1S/C20H20N6O3/c1-13-18(20(28)26(24(13)3)14-7-5-4-6-8-14)16-12-25(23-22-16)11-15-9-10-17(29-15)19(27)21-2/h4-10,12H,11H2,1-3H3,(H,21,27)
InChIKeyVIJLEXLGQGBIOM-UHFFFAOYSA-N
XLogP1.74
TPSA99.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[[4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)triazol-1-yl]methyl]-N-methylfuran-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

N-methyl-5-[[4-[5-[(2R)-oxan-2-yl]furan-2-yl]triazol-1-yl]methyl]furan-2-carboxamide
CID 97145472
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 35807805
1-[(5-methylfuran-2-yl)methyl]triazole-4-carboxylic acid
CID 62059937
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 27666108
4-[6-(furan-2-yl)-2-pyridinyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 139228956
1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide
CID 46612038
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
N,1-dimethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
CID 19408956
4-(5-amino-1-phenylpyrazol-3-yl)-1,5-dimethyl-2-phenylpyrazol-3-one
CID 13330527
5-[[4-(methylsulfonylmethyl)triazol-1-yl]methyl]furan-2-carboxylic acid
CID 82211886
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43922007

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)triazol-1-yl]methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-[[4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)triazol-1-yl]methyl]-N-methylfuran-2-carboxamide (CID 56711894) is 5-[[4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)triazol-1-yl]methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-[[4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)triazol-1-yl]methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-[[4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)triazol-1-yl]methyl]-N-methylfuran-2-carboxamide is CNC(=O)c1ccc(Cn2cc(-c3c(C)n(C)n(-c4ccccc4)c3=O)nn2)o1.
What is the InChIKey of 5-[[4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)triazol-1-yl]methyl]-N-methylfuran-2-carboxamide?
The InChIKey is VIJLEXLGQGBIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-13-18(20(28)26(24(13)3)14-7-5-4-6-8-14)16-12-25(23-22-16)11-15-9-10-17(29-15)19(27)21-2/h4-10,12H,11H2,1-3H3,(H,21,27).
What are the key properties of 5-[[4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)triazol-1-yl]methyl]-N-methylfuran-2-carboxamide?
5-[[4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)triazol-1-yl]methyl]-N-methylfuran-2-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)triazol-1-yl]methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 56711894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).