N-(2,4-dimethoxyphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide

C20H19N3O3S — CID 22517030

IUPACN-(2,4-dimethoxyphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2nn(C)c3c2CSc2ccccc2-3)c(OC)c1
InChIInChI=1S/C20H19N3O3S/c1-23-19-13-6-4-5-7-17(13)27-11-14(19)18(22-23)20(24)21-15-9-8-12(25-2)10-16(15)26-3/h4-10H,11H2,1-3H3,(H,21,24)
InChIKeyYPJQGKGEEAHSPY-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.96
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide

N-(2,4-dimethoxyphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 22517030) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID22517030
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-(2,4-dimethoxyphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2nn(C)c3c2CSc2ccccc2-3)c(OC)c1
InChIInChI=1S/C20H19N3O3S/c1-23-19-13-6-4-5-7-17(13)27-11-14(19)18(22-23)20(24)21-15-9-8-12(25-2)10-16(15)26-3/h4-10H,11H2,1-3H3,(H,21,24)
InChIKeyYPJQGKGEEAHSPY-UHFFFAOYSA-N
XLogP3.96
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 22516804
8-chloro-N-(3,5-dimethoxyphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 53000429
N-(2-fluorophenyl)-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 20964612
N-(2,4-dimethoxyphenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17399023
azepan-1-yl-(1-methyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)methanone
CID 22517040
N-(2,4-dimethoxyphenyl)-3-methoxyquinoxaline-2-carboxamide
CID 50780781
N-(2,4-dimethoxyphenyl)-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-2-carboxamide
CID 53194272
N-(5-chloro-2,4-dimethoxyphenyl)-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide
CID 22520545
N-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
CID 46365183
N-(2,4-dimethoxyphenyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46271728
N-[2-(2,5-dimethoxyphenyl)ethyl]-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 22517002
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide (CID 22517030) is N-(2,4-dimethoxyphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide is COc1ccc(NC(=O)c2nn(C)c3c2CSc2ccccc2-3)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is YPJQGKGEEAHSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-23-19-13-6-4-5-7-17(13)27-11-14(19)18(22-23)20(24)21-15-9-8-12(25-2)10-16(15)26-3/h4-10H,11H2,1-3H3,(H,21,24).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
N-(2,4-dimethoxyphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 22517030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).