N-(1-methylpyrazol-3-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide

C17H17F3N6OS — CID 66899458

IUPACN-(1-methylpyrazol-3-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCn1ccc(NC(=O)c2csc(Cn3nc(C(F)(F)F)c4c3CCCC4)n2)n1
InChIInChI=1S/C17H17F3N6OS/c1-25-7-6-13(23-25)22-16(27)11-9-28-14(21-11)8-26-12-5-3-2-4-10(12)15(24-26)17(18,19)20/h6-7,9H,2-5,8H2,1H3,(H,22,23,27)
InChIKeyUWBZHMGEAKHCGH-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.27
Rot. Bonds4

About N-(1-methylpyrazol-3-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide

N-(1-methylpyrazol-3-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 66899458) has the molecular formula C17H17F3N6OS and a molecular weight of 410.43 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID66899458
Molecular FormulaC17H17F3N6OS
Molecular Weight410.43 g/mol
Exact Mass410.11
IUPAC NameN-(1-methylpyrazol-3-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCn1ccc(NC(=O)c2csc(Cn3nc(C(F)(F)F)c4c3CCCC4)n2)n1
InChIInChI=1S/C17H17F3N6OS/c1-25-7-6-13(23-25)22-16(27)11-9-28-14(21-11)8-26-12-5-3-2-4-10(12)15(24-26)17(18,19)20/h6-7,9H,2-5,8H2,1H3,(H,22,23,27)
InChIKeyUWBZHMGEAKHCGH-UHFFFAOYSA-N
XLogP3.27
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide (CID 66899458) is N-(1-methylpyrazol-3-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide is Cn1ccc(NC(=O)c2csc(Cn3nc(C(F)(F)F)c4c3CCCC4)n2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is UWBZHMGEAKHCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6OS/c1-25-7-6-13(23-25)22-16(27)11-9-28-14(21-11)8-26-12-5-3-2-4-10(12)15(24-26)17(18,19)20/h6-7,9H,2-5,8H2,1H3,(H,22,23,27).
What are the key properties of N-(1-methylpyrazol-3-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide?
N-(1-methylpyrazol-3-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66899458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).