1,8-dimethyl-N-(3-methylsulfanylphenyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide

C20H19N3OS2 — CID 20964655

IUPAC1,8-dimethyl-N-(3-methylsulfanylphenyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
SMILESCSc1cccc(NC(=O)c2nn(C)c3c2CSc2ccc(C)cc2-3)c1
InChIInChI=1S/C20H19N3OS2/c1-12-7-8-17-15(9-12)19-16(11-26-17)18(22-23(19)2)20(24)21-13-5-4-6-14(10-13)25-3/h4-10H,11H2,1-3H3,(H,21,24)
InChIKeyBPASYGHXUWEXBB-UHFFFAOYSA-N
MW381.53 g/mol
LogP4.98
Rot. Bonds3

About 1,8-dimethyl-N-(3-methylsulfanylphenyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide

1,8-dimethyl-N-(3-methylsulfanylphenyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 20964655) has the molecular formula C20H19N3OS2 and a molecular weight of 381.53 g/mol. Its IUPAC name is 1,8-dimethyl-N-(3-methylsulfanylphenyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,8-dimethyl-N-(3-methylsulfanylphenyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID20964655
Molecular FormulaC20H19N3OS2
Molecular Weight381.53 g/mol
Exact Mass381.10
IUPAC Name1,8-dimethyl-N-(3-methylsulfanylphenyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
SMILESCSc1cccc(NC(=O)c2nn(C)c3c2CSc2ccc(C)cc2-3)c1
InChIInChI=1S/C20H19N3OS2/c1-12-7-8-17-15(9-12)19-16(11-26-17)18(22-23(19)2)20(24)21-13-5-4-6-14(10-13)25-3/h4-10H,11H2,1-3H3,(H,21,24)
InChIKeyBPASYGHXUWEXBB-UHFFFAOYSA-N
XLogP4.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.53
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,8-dimethyl-N-(3-methylsulfanylphenyl)-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

N-(2-fluorophenyl)-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 20964612
N-(3,4-dimethylphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 20873262
N-[(4-fluorophenyl)methyl]-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 20964624
1-methyl-N-pyridin-3-yl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 6625709
8-chloro-N-(3,5-dimethoxyphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 53000429
N-(2-fluorophenyl)-N,1,8-trimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 20964643
8-chloro-1-methyl-N-(2-phenylethyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 53000419
N-(2,4-dimethoxyphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 22517030
N-(2,5-dimethylphenyl)-N,1-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 22517099
N-(2-chloro-3-pyridinyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 46271902
N-(2,5-dimethylphenyl)-N-ethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 22517102
2-bromo-5-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 80959344

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-N-(3-methylsulfanylphenyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 1,8-dimethyl-N-(3-methylsulfanylphenyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide (CID 20964655) is 1,8-dimethyl-N-(3-methylsulfanylphenyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for 1,8-dimethyl-N-(3-methylsulfanylphenyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for 1,8-dimethyl-N-(3-methylsulfanylphenyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide is CSc1cccc(NC(=O)c2nn(C)c3c2CSc2ccc(C)cc2-3)c1.
What is the InChIKey of 1,8-dimethyl-N-(3-methylsulfanylphenyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is BPASYGHXUWEXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS2/c1-12-7-8-17-15(9-12)19-16(11-26-17)18(22-23(19)2)20(24)21-13-5-4-6-14(10-13)25-3/h4-10H,11H2,1-3H3,(H,21,24).
What are the key properties of 1,8-dimethyl-N-(3-methylsulfanylphenyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
1,8-dimethyl-N-(3-methylsulfanylphenyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 381.53 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-N-(3-methylsulfanylphenyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 20964655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).