(3-tert-butyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

C13H16F3N3OS — CID 106782248

IUPAC(3-tert-butyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCn1cc(C(O)c2cnc(C(F)(F)F)s2)c(C(C)(C)C)n1
InChIInChI=1S/C13H16F3N3OS/c1-12(2,3)10-7(6-19(4)18-10)9(20)8-5-17-11(21-8)13(14,15)16/h5-6,9,20H,1-4H3
InChIKeyHHQHDZJDDPDVKH-UHFFFAOYSA-N
MW319.35 g/mol
LogP3.27
Rot. Bonds2

About (3-tert-butyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

(3-tert-butyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106782248) has the molecular formula C13H16F3N3OS and a molecular weight of 319.35 g/mol. Its IUPAC name is (3-tert-butyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name(3-tert-butyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106782248
Molecular FormulaC13H16F3N3OS
Molecular Weight319.35 g/mol
Exact Mass319.10
IUPAC Name(3-tert-butyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCn1cc(C(O)c2cnc(C(F)(F)F)s2)c(C(C)(C)C)n1
InChIInChI=1S/C13H16F3N3OS/c1-12(2,3)10-7(6-19(4)18-10)9(20)8-5-17-11(21-8)13(14,15)16/h5-6,9,20H,1-4H3
InChIKeyHHQHDZJDDPDVKH-UHFFFAOYSA-N
XLogP3.27
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-tert-butyl-1-methylpyrazol-4-yl)-(5-chlorothiophen-2-yl)methanol
CID 83091647
(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782168
(3-tert-butyl-1-methylpyrazol-4-yl)-phenylmethanol
CID 83090018
1-(3-tert-butyl-1-methylpyrazol-4-yl)-3,3,3-trifluoropropan-1-amine
CID 113404126
(3-tert-butyl-1-methylpyrazol-4-yl)-(2-fluorophenyl)methanol
CID 83090575
(2-bromo-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782227
(4-chloro-2-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782299
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol
CID 106782928
(3-bromo-2,6-difluorophenyl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol
CID 106941468
(4-bromo-1-methylpyrazol-5-yl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol
CID 114638010
(2-chloro-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786653
(5-chloro-2-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106786605

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of (3-tert-butyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106782248) is (3-tert-butyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for (3-tert-butyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for (3-tert-butyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is Cn1cc(C(O)c2cnc(C(F)(F)F)s2)c(C(C)(C)C)n1.
What is the InChIKey of (3-tert-butyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is HHQHDZJDDPDVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3OS/c1-12(2,3)10-7(6-19(4)18-10)9(20)8-5-17-11(21-8)13(14,15)16/h5-6,9,20H,1-4H3.
What are the key properties of (3-tert-butyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
(3-tert-butyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 319.35 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106782248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).