2-(3-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-1,3-thiazole-4-carboxamide

C22H19ClN4O3S — CID 112799143

IUPAC2-(3-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(Cn2nccc2NC(=O)c2csc(-c3cccc(Cl)c3)n2)c1OC
InChIInChI=1S/C22H19ClN4O3S/c1-29-18-8-4-6-15(20(18)30-2)12-27-19(9-10-24-27)26-21(28)17-13-31-22(25-17)14-5-3-7-16(23)11-14/h3-11,13H,12H2,1-2H3,(H,26,28)
InChIKeyOXCNXCWJLKUMQH-UHFFFAOYSA-N
MW454.94 g/mol
LogP4.98
Rot. Bonds7

About 2-(3-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-1,3-thiazole-4-carboxamide

2-(3-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 112799143) has the molecular formula C22H19ClN4O3S and a molecular weight of 454.94 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID112799143
Molecular FormulaC22H19ClN4O3S
Molecular Weight454.94 g/mol
Exact Mass454.09
IUPAC Name2-(3-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(Cn2nccc2NC(=O)c2csc(-c3cccc(Cl)c3)n2)c1OC
InChIInChI=1S/C22H19ClN4O3S/c1-29-18-8-4-6-15(20(18)30-2)12-27-19(9-10-24-27)26-21(28)17-13-31-22(25-17)14-5-3-7-16(23)11-14/h3-11,13H,12H2,1-2H3,(H,26,28)
InChIKeyOXCNXCWJLKUMQH-UHFFFAOYSA-N
XLogP4.98
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.94
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3,4,5-triethoxybenzamide
CID 55435038
6-chloro-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2H-chromene-3-carboxamide
CID 55442046
2-(2-bromo-4-chlorophenoxy)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 43033838
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 55811504
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide
CID 78820639
3-cyano-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]benzamide
CID 18096334
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-phenoxybenzamide
CID 52523207
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-thiophen-3-ylpropanamide
CID 43033842
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-ethoxypyridine-3-carboxamide
CID 26470200
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 51248422
2-(2,4-dimethoxyphenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 55434840
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-1,3-thiazole-4-carboxamide (CID 112799143) is 2-(3-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-1,3-thiazole-4-carboxamide is COc1cccc(Cn2nccc2NC(=O)c2csc(-c3cccc(Cl)c3)n2)c1OC.
What is the InChIKey of 2-(3-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is OXCNXCWJLKUMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3S/c1-29-18-8-4-6-15(20(18)30-2)12-27-19(9-10-24-27)26-21(28)17-13-31-22(25-17)14-5-3-7-16(23)11-14/h3-11,13H,12H2,1-2H3,(H,26,28).
What are the key properties of 2-(3-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-1,3-thiazole-4-carboxamide?
2-(3-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 454.94 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 112799143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).