(1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol

C11H11F3N2OS — CID 112745721

IUPAC(1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol
SMILESCc1cc(C(O)c2cscc2C(F)(F)F)nn1C
InChIInChI=1S/C11H11F3N2OS/c1-6-3-9(15-16(6)2)10(17)7-4-18-5-8(7)11(12,13)14/h3-5,10,17H,1-2H3
InChIKeyOLIGHFNWBSPHPW-UHFFFAOYSA-N
MW276.28 g/mol
LogP2.89
Rot. Bonds2

About (1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol

(1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol (PubChem CID 112745721) has the molecular formula C11H11F3N2OS and a molecular weight of 276.28 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol
PubChem CID112745721
Molecular FormulaC11H11F3N2OS
Molecular Weight276.28 g/mol
Exact Mass276.05
IUPAC Name(1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol
SMILESCc1cc(C(O)c2cscc2C(F)(F)F)nn1C
InChIInChI=1S/C11H11F3N2OS/c1-6-3-9(15-16(6)2)10(17)7-4-18-5-8(7)11(12,13)14/h3-5,10,17H,1-2H3
InChIKeyOLIGHFNWBSPHPW-UHFFFAOYSA-N
XLogP2.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol (CID 112745721) is (1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol is Cc1cc(C(O)c2cscc2C(F)(F)F)nn1C.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol?
The InChIKey is OLIGHFNWBSPHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2OS/c1-6-3-9(15-16(6)2)10(17)7-4-18-5-8(7)11(12,13)14/h3-5,10,17H,1-2H3.
What are the key properties of (1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol?
(1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol has a molecular weight of 276.28 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol is sourced from PubChem (CID 112745721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).