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

C12H13ClF3N3OS — CID 106782188

IUPAC(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCC(C)c1nn(C)c(Cl)c1C(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H13ClF3N3OS/c1-5(2)8-7(10(13)19(3)18-8)9(20)6-4-17-11(21-6)12(14,15)16/h4-5,9,20H,1-3H3
InChIKeyCISUBKDGBPFLCP-UHFFFAOYSA-N
MW339.77 g/mol
LogP3.75
Rot. Bonds3

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

(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106782188) has the molecular formula C12H13ClF3N3OS and a molecular weight of 339.77 g/mol. Its IUPAC name is (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106782188
Molecular FormulaC12H13ClF3N3OS
Molecular Weight339.77 g/mol
Exact Mass339.04
IUPAC Name(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCC(C)c1nn(C)c(Cl)c1C(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H13ClF3N3OS/c1-5(2)8-7(10(13)19(3)18-8)9(20)6-4-17-11(21-6)12(14,15)16/h4-5,9,20H,1-3H3
InChIKeyCISUBKDGBPFLCP-UHFFFAOYSA-N
XLogP3.75
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.77
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106782188) is (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is CC(C)c1nn(C)c(Cl)c1C(O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is CISUBKDGBPFLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N3OS/c1-5(2)8-7(10(13)19(3)18-8)9(20)6-4-17-11(21-6)12(14,15)16/h4-5,9,20H,1-3H3.
What are the key properties of (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 339.77 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106782188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).