N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide

C22H19FN4O3S — CID 32936510

IUPACN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cnn(-c4ccccc4F)c3C)n2)cc1OC
InChIInChI=1S/C22H19FN4O3S/c1-13-15(11-24-27(13)18-7-5-4-6-16(18)23)21(28)26-22-25-17(12-31-22)14-8-9-19(29-2)20(10-14)30-3/h4-12H,1-3H3,(H,25,26,28)
InChIKeyZQVGUXOKIFPXIX-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.71
Rot. Bonds6

About N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 32936510) has the molecular formula C22H19FN4O3S and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID32936510
Molecular FormulaC22H19FN4O3S
Molecular Weight438.48 g/mol
Exact Mass438.12
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cnn(-c4ccccc4F)c3C)n2)cc1OC
InChIInChI=1S/C22H19FN4O3S/c1-13-15(11-24-27(13)18-7-5-4-6-16(18)23)21(28)26-22-25-17(12-31-22)14-8-9-19(29-2)20(10-14)30-3/h4-12H,1-3H3,(H,25,26,28)
InChIKeyZQVGUXOKIFPXIX-UHFFFAOYSA-N
XLogP4.71
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 134026336
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55605099
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55520765
2,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1259227
1-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-fluorophenyl)sulfonylurea
CID 1497734
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 7742220
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112814019
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 2162604
1-(2-fluorophenyl)-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112821490
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
CID 28550562
2-N,5-N-bis[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 5136321

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide (CID 32936510) is N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide is COc1ccc(-c2csc(NC(=O)c3cnn(-c4ccccc4F)c3C)n2)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is ZQVGUXOKIFPXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3S/c1-13-15(11-24-27(13)18-7-5-4-6-16(18)23)21(28)26-22-25-17(12-31-22)14-8-9-19(29-2)20(10-14)30-3/h4-12H,1-3H3,(H,25,26,28).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 32936510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).