(2,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol

C11H11F3N2OS — CID 112745726

IUPAC(2,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol
SMILESCc1cc(C(O)c2cscc2C(F)(F)F)n(C)n1
InChIInChI=1S/C11H11F3N2OS/c1-6-3-9(16(2)15-6)10(17)7-4-18-5-8(7)11(12,13)14/h3-5,10,17H,1-2H3
InChIKeyDAVIBKYMULMHIO-UHFFFAOYSA-N
MW276.28 g/mol
LogP2.89
Rot. Bonds2

About (2,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol

(2,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol (PubChem CID 112745726) has the molecular formula C11H11F3N2OS and a molecular weight of 276.28 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol
PubChem CID112745726
Molecular FormulaC11H11F3N2OS
Molecular Weight276.28 g/mol
Exact Mass276.05
IUPAC Name(2,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol
SMILESCc1cc(C(O)c2cscc2C(F)(F)F)n(C)n1
InChIInChI=1S/C11H11F3N2OS/c1-6-3-9(16(2)15-6)10(17)7-4-18-5-8(7)11(12,13)14/h3-5,10,17H,1-2H3
InChIKeyDAVIBKYMULMHIO-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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Related Compounds

1-(1-Methyl-3-thiophen-3-ylpyrazol-5-yl)ethane-1,2-diol
CID 155559694
(1,5-dimethyl-1H-pyrazol-3-yl)(thiophen-3-yl)methanol
CID 121553669
alpha-[[Methyl[[5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl]methyl]amino]methyl]-benzenemethanol
CID 10000765
Cyclohexyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol
CID 58955827
Cyclohexyl-[5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol
CID 58955830
Cyclohexyl-[5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophen-2-yl]methanol
CID 143534018
(3,3-Difluorocyclohexyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol
CID 163643050
1-[5-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]ethanol
CID 164050918
(1,5-Dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol
CID 112745721
(1-(difluoromethyl)-3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanol
CID 121211066
(1-(2-fluoroethyl)-3-(thiophen-3-yl)-1H-pyrazol-5-yl)methanol
CID 121211171
(1-(difluoromethyl)-3-(thiophen-3-yl)-1H-pyrazol-5-yl)methanol
CID 121211177

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol (CID 112745726) is (2,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol is Cc1cc(C(O)c2cscc2C(F)(F)F)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol?
The InChIKey is DAVIBKYMULMHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2OS/c1-6-3-9(16(2)15-6)10(17)7-4-18-5-8(7)11(12,13)14/h3-5,10,17H,1-2H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol?
(2,5-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 (2,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol is sourced from PubChem (CID 112745726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).