N-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide

C17H15F3N4O2S — CID 71071050

IUPACN-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide
SMILESCc1nc(C(O)c2cccc(C(F)(F)F)c2)sc1NC(=O)c1ccnn1C
InChIInChI=1S/C17H15F3N4O2S/c1-9-15(23-14(26)12-6-7-21-24(12)2)27-16(22-9)13(25)10-4-3-5-11(8-10)17(18,19)20/h3-8,13,25H,1-2H3,(H,23,26)
InChIKeyXLQBEZBCLILLNT-UHFFFAOYSA-N
MW396.39 g/mol
LogP3.54
Rot. Bonds4

About N-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide

N-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 71071050) has the molecular formula C17H15F3N4O2S and a molecular weight of 396.39 g/mol. Its IUPAC name is N-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide
PubChem CID71071050
Molecular FormulaC17H15F3N4O2S
Molecular Weight396.39 g/mol
Exact Mass396.09
IUPAC NameN-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide
SMILESCc1nc(C(O)c2cccc(C(F)(F)F)c2)sc1NC(=O)c1ccnn1C
InChIInChI=1S/C17H15F3N4O2S/c1-9-15(23-14(26)12-6-7-21-24(12)2)27-16(22-9)13(25)10-4-3-5-11(8-10)17(18,19)20/h3-8,13,25H,1-2H3,(H,23,26)
InChIKeyXLQBEZBCLILLNT-UHFFFAOYSA-N
XLogP3.54
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide (CID 71071050) is N-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide is Cc1nc(C(O)c2cccc(C(F)(F)F)c2)sc1NC(=O)c1ccnn1C.
What is the InChIKey of N-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is XLQBEZBCLILLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2S/c1-9-15(23-14(26)12-6-7-21-24(12)2)27-16(22-9)13(25)10-4-3-5-11(8-10)17(18,19)20/h3-8,13,25H,1-2H3,(H,23,26).
What are the key properties of N-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide?
N-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 396.39 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 71071050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).