(5-chloro-1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

C10H9ClF3N3OS — CID 106782186

IUPAC(5-chloro-1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCc1nn(C)c(Cl)c1C(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H9ClF3N3OS/c1-4-6(8(11)17(2)16-4)7(18)5-3-15-9(19-5)10(12,13)14/h3,7,18H,1-2H3
InChIKeyNYDLGPXXFHXSPJ-UHFFFAOYSA-N
MW311.72 g/mol
LogP2.94
Rot. Bonds2

About (5-chloro-1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

(5-chloro-1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106782186) has the molecular formula C10H9ClF3N3OS and a molecular weight of 311.72 g/mol. Its IUPAC name is (5-chloro-1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name(5-chloro-1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106782186
Molecular FormulaC10H9ClF3N3OS
Molecular Weight311.72 g/mol
Exact Mass311.01
IUPAC Name(5-chloro-1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCc1nn(C)c(Cl)c1C(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H9ClF3N3OS/c1-4-6(8(11)17(2)16-4)7(18)5-3-15-9(19-5)10(12,13)14/h3,7,18H,1-2H3
InChIKeyNYDLGPXXFHXSPJ-UHFFFAOYSA-N
XLogP2.94
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of (5-chloro-1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106782186) is (5-chloro-1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for (5-chloro-1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for (5-chloro-1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is Cc1nn(C)c(Cl)c1C(O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of (5-chloro-1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is NYDLGPXXFHXSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N3OS/c1-4-6(8(11)17(2)16-4)7(18)5-3-15-9(19-5)10(12,13)14/h3,7,18H,1-2H3.
What are the key properties of (5-chloro-1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
(5-chloro-1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 311.72 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,3-dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106782186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).