(2-ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

C11H12F3N3OS — CID 106786617

IUPAC(2-ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCCn1nc(C)cc1C(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H12F3N3OS/c1-3-17-7(4-6(2)16-17)9(18)8-5-15-10(19-8)11(12,13)14/h4-5,9,18H,3H2,1-2H3
InChIKeyVGKJCYINFSNVHQ-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.77
Rot. Bonds3

About (2-ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

(2-ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106786617) has the molecular formula C11H12F3N3OS and a molecular weight of 291.30 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name(2-ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106786617
Molecular FormulaC11H12F3N3OS
Molecular Weight291.30 g/mol
Exact Mass291.07
IUPAC Name(2-ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCCn1nc(C)cc1C(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H12F3N3OS/c1-3-17-7(4-6(2)16-17)9(18)8-5-15-10(19-8)11(12,13)14/h4-5,9,18H,3H2,1-2H3
InChIKeyVGKJCYINFSNVHQ-UHFFFAOYSA-N
XLogP2.77
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782168
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol
CID 106782928
1-(2-ethyl-5-methylpyrazol-3-yl)-5,5,5-trifluoropentan-1-amine
CID 105174400
1-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 105091094
(3-cyclopropylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782171
3-methylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
CID 106782108
(2-ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol
CID 105092804
1-(2-ethyl-5-methylpyrazol-3-yl)butan-1-ol
CID 105083085
N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-4,4,4-trifluorobutan-1-amine
CID 105156471
(5-bromo-3-methyltriazol-4-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanol
CID 106465689
(2-bromo-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 107985902
(2-ethyl-5-methylpyrazol-3-yl)-(4-propan-2-yloxyphenyl)methanol
CID 105095513

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106786617) is (2-ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for (2-ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for (2-ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is CCn1nc(C)cc1C(O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of (2-ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is VGKJCYINFSNVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3OS/c1-3-17-7(4-6(2)16-17)9(18)8-5-15-10(19-8)11(12,13)14/h4-5,9,18H,3H2,1-2H3.
What are the key properties of (2-ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
(2-ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 291.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106786617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).