1-methyl-3-(6-methyl-1,3-benzothiazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide

C20H13F6N5OS — CID 171093549

IUPAC1-methyl-3-(6-methyl-1,3-benzothiazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
SMILESCc1ccc2ncsc2c1-c1nn(C)c(C(=O)Nc2ccnc(C(F)(F)F)c2)c1C(F)(F)F
InChIInChI=1S/C20H13F6N5OS/c1-9-3-4-11-17(33-8-28-11)13(9)15-14(20(24,25)26)16(31(2)30-15)18(32)29-10-5-6-27-12(7-10)19(21,22)23/h3-8H,1-2H3,(H,27,29,32)
InChIKeyHSYUBGOHJSHZIW-UHFFFAOYSA-N
MW485.41 g/mol
LogP5.69
Rot. Bonds3

About 1-methyl-3-(6-methyl-1,3-benzothiazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide

1-methyl-3-(6-methyl-1,3-benzothiazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide (PubChem CID 171093549) has the molecular formula C20H13F6N5OS and a molecular weight of 485.41 g/mol. Its IUPAC name is 1-methyl-3-(6-methyl-1,3-benzothiazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-(6-methyl-1,3-benzothiazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
PubChem CID171093549
Molecular FormulaC20H13F6N5OS
Molecular Weight485.41 g/mol
Exact Mass485.07
IUPAC Name1-methyl-3-(6-methyl-1,3-benzothiazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
SMILESCc1ccc2ncsc2c1-c1nn(C)c(C(=O)Nc2ccnc(C(F)(F)F)c2)c1C(F)(F)F
InChIInChI=1S/C20H13F6N5OS/c1-9-3-4-11-17(33-8-28-11)13(9)15-14(20(24,25)26)16(31(2)30-15)18(32)29-10-5-6-27-12(7-10)19(21,22)23/h3-8H,1-2H3,(H,27,29,32)
InChIKeyHSYUBGOHJSHZIW-UHFFFAOYSA-N
XLogP5.69
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.41
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-(1-methylindazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
CID 171093563
3-(1,3-benzodioxol-4-yl)-1-methyl-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
CID 171093682
1-methyl-3-(3-oxo-4H-1,4-benzoxazin-8-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
CID 171093636
1-methyl-3-[[2-[3-[methyl-[1-methyl-4-(trifluoromethyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]carbamoyl]pyrazol-3-yl]amino]phenyl]phenoxy]methyl]-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide
CID 171093794
N-[3-(benzylcarbamoyl)-4-methylphenyl]-1,3-dimethyl-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 163723911
N-(2-aminosulfanyl-4-pyridinyl)-1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 166528595
3-fluoro-1-methyl-4-(propan-2-ylsulfamoyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrole-2-carboxamide
CID 118295593
4-cyclopropyl-3-(2-methylbenzotriazol-4-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,2-thiazole-5-carboxamide
CID 171095920
4-[[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]pyridine-2-carboxamide;methylcyclopentane
CID 166528731
4-amino-N-(1,3-benzothiazol-6-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 107802510
3-chloro-4-[[(2R)-3,3-difluorobutan-2-yl]sulfamoyl]-1-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrole-2-carboxamide
CID 118295581
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-methyl-3-(2-methylimidazo[1,2-a]pyridin-5-yl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 171093837

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(6-methyl-1,3-benzothiazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-(6-methyl-1,3-benzothiazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide (CID 171093549) is 1-methyl-3-(6-methyl-1,3-benzothiazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-(6-methyl-1,3-benzothiazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-(6-methyl-1,3-benzothiazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide is Cc1ccc2ncsc2c1-c1nn(C)c(C(=O)Nc2ccnc(C(F)(F)F)c2)c1C(F)(F)F.
What is the InChIKey of 1-methyl-3-(6-methyl-1,3-benzothiazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide?
The InChIKey is HSYUBGOHJSHZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F6N5OS/c1-9-3-4-11-17(33-8-28-11)13(9)15-14(20(24,25)26)16(31(2)30-15)18(32)29-10-5-6-27-12(7-10)19(21,22)23/h3-8H,1-2H3,(H,27,29,32).
What are the key properties of 1-methyl-3-(6-methyl-1,3-benzothiazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide?
1-methyl-3-(6-methyl-1,3-benzothiazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide has a molecular weight of 485.41 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(6-methyl-1,3-benzothiazol-7-yl)-4-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-5-carboxamide is sourced from PubChem (CID 171093549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).