N-(4-methoxyphenyl)-1-methyl-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide

C19H17N3O4S — CID 22519975

IUPACN-(4-methoxyphenyl)-1-methyl-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)cc1
InChIInChI=1S/C19H17N3O4S/c1-22-18-14-5-3-4-6-16(14)27(24,25)11-15(18)17(21-22)19(23)20-12-7-9-13(26-2)10-8-12/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyFEZAYYXBWVXOAT-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.64
Rot. Bonds3

About N-(4-methoxyphenyl)-1-methyl-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide

N-(4-methoxyphenyl)-1-methyl-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 22519975) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-methyl-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-methyl-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID22519975
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC NameN-(4-methoxyphenyl)-1-methyl-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)cc1
InChIInChI=1S/C19H17N3O4S/c1-22-18-14-5-3-4-6-16(14)27(24,25)11-15(18)17(21-22)19(23)20-12-7-9-13(26-2)10-8-12/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyFEZAYYXBWVXOAT-UHFFFAOYSA-N
XLogP2.64
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methoxyphenyl)-1-methyl-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-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

6-[4-(2-methanesulfonylphenyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-7-one
CID 23646184
1-(4-Methoxyphenyl)-6-[4-(2-methylsulfonylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 59020154
N-arylpyrazole carboxamide 3
CID 11330048
1-(4-methoxyphenyl)-6-(4-(1-(methylsulfonylmethyl)cyclopropyl)phenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 44581288
N-(3,5-dimethoxyphenyl)-1-methyl-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 16009337
N-(2-Ethoxyphenyl)-1-methyl-1H,4H-thiochromeno[4,3-C]pyrazole-3-carboxamide
CID 16017100
N-[(2,5-Dimethoxyphenyl)methyl]-1-methyl-1H,4H-thiochromeno[4,3-C]pyrazole-3-carboxamide
CID 16017141
N-[2-(4-Ethoxyphenyl)ethyl]-1-methyl-1H,4H-thiochromeno[4,3-C]pyrazole-3-carboxamide
CID 16017196
N-(2,4-Dimethoxyphenyl)-1H,4H-thiochromeno[4,3-C]pyrazole-3-carboxamide
CID 16017668
[4-(4-Methoxyphenyl)-1-piperazinyl](1-methyl-5,5-dioxido-1,4-dihydrothiochromeno[4,3-C]pyrazol-3-YL)methanone
CID 16017760
N-[(4-methoxyphenyl)methyl]-1-methyl-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 16017780
N-(2-ethoxybenzyl)-1-methyl-1,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide 5,5-dioxide
CID 16017807

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-methyl-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-methyl-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide (CID 22519975) is N-(4-methoxyphenyl)-1-methyl-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-methyl-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-methyl-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide is COc1ccc(NC(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-methyl-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is FEZAYYXBWVXOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-22-18-14-5-3-4-6-16(14)27(24,25)11-15(18)17(21-22)19(23)20-12-7-9-13(26-2)10-8-12/h3-10H,11H2,1-2H3,(H,20,23).
What are the key properties of N-(4-methoxyphenyl)-1-methyl-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
N-(4-methoxyphenyl)-1-methyl-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-methyl-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 22519975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).