(1R)-1-[1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazol-3-yl]ethanol

C10H10F3N3OS — CID 99822508

IUPAC(1R)-1-[1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazol-3-yl]ethanol
SMILESC[C@@H](O)c1ccn(Cc2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C10H10F3N3OS/c1-6(17)7-2-3-16(15-7)4-9-14-8(5-18-9)10(11,12)13/h2-3,5-6,17H,4H2,1H3/t6-/m1/s1
InChIKeyGGUNXBWXADCARX-ZCFIWIBFSA-N
MW277.27 g/mol
LogP2.46
Rot. Bonds3

About (1R)-1-[1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazol-3-yl]ethanol

(1R)-1-[1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazol-3-yl]ethanol (PubChem CID 99822508) has the molecular formula C10H10F3N3OS and a molecular weight of 277.27 g/mol. Its IUPAC name is (1R)-1-[1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazol-3-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazol-3-yl]ethanol
PubChem CID99822508
Molecular FormulaC10H10F3N3OS
Molecular Weight277.27 g/mol
Exact Mass277.05
IUPAC Name(1R)-1-[1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazol-3-yl]ethanol
SMILESC[C@@H](O)c1ccn(Cc2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C10H10F3N3OS/c1-6(17)7-2-3-16(15-7)4-9-14-8(5-18-9)10(11,12)13/h2-3,5-6,17H,4H2,1H3/t6-/m1/s1
InChIKeyGGUNXBWXADCARX-ZCFIWIBFSA-N
XLogP2.46
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazol-3-yl]ethanol?
The IUPAC name of (1R)-1-[1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazol-3-yl]ethanol (CID 99822508) is (1R)-1-[1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazol-3-yl]ethanol.
What is the SMILES notation for (1R)-1-[1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazol-3-yl]ethanol?
The canonical SMILES for (1R)-1-[1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazol-3-yl]ethanol is C[C@@H](O)c1ccn(Cc2nc(C(F)(F)F)cs2)n1.
What is the InChIKey of (1R)-1-[1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazol-3-yl]ethanol?
The InChIKey is GGUNXBWXADCARX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H10F3N3OS/c1-6(17)7-2-3-16(15-7)4-9-14-8(5-18-9)10(11,12)13/h2-3,5-6,17H,4H2,1H3/t6-/m1/s1.
What are the key properties of (1R)-1-[1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazol-3-yl]ethanol?
(1R)-1-[1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazol-3-yl]ethanol has a molecular weight of 277.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazol-3-yl]ethanol is sourced from PubChem (CID 99822508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).