3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,2-oxazole-4-carboxamide

C23H19ClN4O4S — CID 3238476

IUPAC3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,2-oxazole-4-carboxamide
SMILESCc1ccccc1-n1nc2c(c1NC(=O)c1c(-c3ccccc3Cl)noc1C)CS(=O)(=O)C2
InChIInChI=1S/C23H19ClN4O4S/c1-13-7-3-6-10-19(13)28-22(16-11-33(30,31)12-18(16)26-28)25-23(29)20-14(2)32-27-21(20)15-8-4-5-9-17(15)24/h3-10H,11-12H2,1-2H3,(H,25,29)
InChIKeyHFHWPRHFZBZWHW-UHFFFAOYSA-N
MW482.95 g/mol
LogP4.48
Rot. Bonds4

About 3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,2-oxazole-4-carboxamide (PubChem CID 3238476) has the molecular formula C23H19ClN4O4S and a molecular weight of 482.95 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,2-oxazole-4-carboxamide
PubChem CID3238476
Molecular FormulaC23H19ClN4O4S
Molecular Weight482.95 g/mol
Exact Mass482.08
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,2-oxazole-4-carboxamide
SMILESCc1ccccc1-n1nc2c(c1NC(=O)c1c(-c3ccccc3Cl)noc1C)CS(=O)(=O)C2
InChIInChI=1S/C23H19ClN4O4S/c1-13-7-3-6-10-19(13)28-22(16-11-33(30,31)12-18(16)26-28)25-23(29)20-14(2)32-27-21(20)15-8-4-5-9-17(15)24/h3-10H,11-12H2,1-2H3,(H,25,29)
InChIKeyHFHWPRHFZBZWHW-UHFFFAOYSA-N
XLogP4.48
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.95
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-chlorophenyl)-5-methyl-N-(2-(o-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)isoxazole-4-carboxamide
CID 3243941
3-(2-chlorophenyl)-N-(2-(2,4-dimethylphenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-5-methylisoxazole-4-carboxamide
CID 3238491
3-(2-chlorophenyl)-5-methyl-N-[2-(4-methylphenyl)-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]isoxazole-4-carboxamide
CID 3241882
3-(2-chlorophenyl)-N-(2-(4-methoxyphenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-5-methylisoxazole-4-carboxamide
CID 3241298
N-(2-(tert-butyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamide
CID 3475496
3-(2-chlorophenyl)-N-(2-(2,3-dimethylphenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-5-methylisoxazole-4-carboxamide
CID 4609120
3-(2-chlorophenyl)-N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-5-methylisoxazole-4-carboxamide
CID 135949167
3-(2-chlorophenyl)-5-methyl-N-(3-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazol-5-yl)isoxazole-4-carboxamide
CID 136264526
3-(2-chlorophenyl)-N-[2-(4-fluorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 3335856
3-(2-chlorophenyl)-N-(2-(4-fluorophenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-5-methylisoxazole-4-carboxamide
CID 4337143
3-(2-chlorophenyl)-N-(2-(3,5-dimethylphenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-5-methylisoxazole-4-carboxamide
CID 4146243
3-(2-chlorophenyl)-N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 44049599

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,2-oxazole-4-carboxamide (CID 3238476) is 3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,2-oxazole-4-carboxamide is Cc1ccccc1-n1nc2c(c1NC(=O)c1c(-c3ccccc3Cl)noc1C)CS(=O)(=O)C2.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is HFHWPRHFZBZWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O4S/c1-13-7-3-6-10-19(13)28-22(16-11-33(30,31)12-18(16)26-28)25-23(29)20-14(2)32-27-21(20)15-8-4-5-9-17(15)24/h3-10H,11-12H2,1-2H3,(H,25,29).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 482.95 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-[2-(2-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 3238476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).