2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol

C8H11F3N2O — CID 63977421

IUPAC2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol
SMILESCCCn1nccc1C(O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-2-5-13-6(3-4-12-13)7(14)8(9,10)11/h3-4,7,14H,2,5H2,1H3
InChIKeyORVYCFLZTQOPAY-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.89
Rot. Bonds3

About 2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol

2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol (PubChem CID 63977421) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol
PubChem CID63977421
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol
SMILESCCCn1nccc1C(O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-2-5-13-6(3-4-12-13)7(14)8(9,10)11/h3-4,7,14H,2,5H2,1H3
InChIKeyORVYCFLZTQOPAY-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-ol
CID 116752129
(1S)-3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 104941104
[3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)-2-(trifluoromethyl)propyl]hydrazine
CID 103312805
2-chloro-1-(2-ethylpyrazol-3-yl)-2,2-difluoroethanol
CID 112575208
furan-3-yl-(2-propylpyrazol-3-yl)methanol
CID 63974629
4,4,4-trifluoro-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 79952578
(2-propylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol
CID 63975892
2,2-dimethyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975935
3-(dimethylamino)-1-(2-propylpyrazol-3-yl)propan-1-ol
CID 115345864
2-amino-1-(2-propylpyrazol-3-yl)propane-1,3-diol
CID 114558108
2-methoxy-3,3-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-ol
CID 116713015
[2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol
CID 115911605

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol (CID 63977421) is 2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol is CCCn1nccc1C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol?
The InChIKey is ORVYCFLZTQOPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-2-5-13-6(3-4-12-13)7(14)8(9,10)11/h3-4,7,14H,2,5H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol?
2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol has a molecular weight of 208.18 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol is sourced from PubChem (CID 63977421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).