N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide

C20H18ClN3O3S — CID 167847983

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide
SMILESCOc1cc(OC)c(N(C)C(=O)c2[nH]nc3c2CSc2ccccc2-3)cc1Cl
InChIInChI=1S/C20H18ClN3O3S/c1-24(14-8-13(21)15(26-2)9-16(14)27-3)20(25)19-12-10-28-17-7-5-4-6-11(17)18(12)22-23-19/h4-9H,10H2,1-3H3,(H,22,23)
InChIKeyRJKXPJBJSPSIKB-UHFFFAOYSA-N
MW415.90 g/mol
LogP4.63
Rot. Bonds4

About N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide (PubChem CID 167847983) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide
PubChem CID167847983
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide
SMILESCOc1cc(OC)c(N(C)C(=O)c2[nH]nc3c2CSc2ccccc2-3)cc1Cl
InChIInChI=1S/C20H18ClN3O3S/c1-24(14-8-13(21)15(26-2)9-16(14)27-3)20(25)19-12-10-28-17-7-5-4-6-11(17)18(12)22-23-19/h4-9H,10H2,1-3H3,(H,22,23)
InChIKeyRJKXPJBJSPSIKB-UHFFFAOYSA-N
XLogP4.63
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-2,4-dihydrothiochromeno[4,3-c]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-(5-chloro-2,4-dimethoxyphenyl)-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide
CID 22520545
methyl 2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxylate
CID 123911729
2,4-dihydrothiochromeno[4,3-c]pyrazol-3-yl(morpholin-4-yl)methanone
CID 123401361
N-(4-ethylphenyl)-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide
CID 6625708
N-(4-chlorophenyl)-N-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 67304559
3,4,5-trimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 4279938
N-(2,5-dimethylphenyl)-N,1-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 22517099
N-(3-chlorophenyl)-N,1-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 22517092
N-(2,5-dimethoxyphenyl)-N-ethyl-4H-thiochromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 22516725
N-(5-chloro-2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 20879952
2-chloro-N-(2-methoxyphenyl)-N-methyl-5-sulfanylbenzamide
CID 107027609
3-amino-4-(2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82082687

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide (CID 167847983) is N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide is COc1cc(OC)c(N(C)C(=O)c2[nH]nc3c2CSc2ccccc2-3)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide?
The InChIKey is RJKXPJBJSPSIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c1-24(14-8-13(21)15(26-2)9-16(14)27-3)20(25)19-12-10-28-17-7-5-4-6-11(17)18(12)22-23-19/h4-9H,10H2,1-3H3,(H,22,23).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide has a molecular weight of 415.90 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-2,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 167847983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).