1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol

C6H7F3N2O — CID 141194095

IUPAC1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
SMILESCC(O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C6H7F3N2O/c1-3(12)4-2-10-11-5(4)6(7,8)9/h2-3,12H,1H3,(H,10,11)
InChIKeyILRPKCKEWAVUND-UHFFFAOYSA-N
MW180.13 g/mol
LogP1.48
Rot. Bonds1

About 1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol

1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol (PubChem CID 141194095) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
PubChem CID141194095
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
SMILESCC(O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C6H7F3N2O/c1-3(12)4-2-10-11-5(4)6(7,8)9/h2-3,12H,1H3,(H,10,11)
InChIKeyILRPKCKEWAVUND-UHFFFAOYSA-N
XLogP1.48
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-methyl-1H-pyrazol-4-yl)methanol
CID 20648899
2-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-ol
CID 58230786
(5-ethyl-1H-pyrazol-4-yl)methanol
CID 66440409
2-[3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 10678923
(3-Trifluoromethyl-1H-pyrazol-4-yl)methanol
CID 59520494
[5-(difluoromethyl)-1H-pyrazol-4-yl]methanol
CID 66442625
2-methyl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
CID 70818131
1-[4-(trifluoromethyl)-1H-pyrazol-5-yl]ethanol
CID 122623437
2-amino-1-[3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 82400680
1,1,1,3,3,3-Hexafluoro-2-(5-methyl-1h-pyrazol-4-yl)propan-2-ol
CID 83384965
1-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-ol
CID 83675742
(1S)-2-amino-1-[3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 95935056

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
The IUPAC name of 1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol (CID 141194095) is 1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
The canonical SMILES for 1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol is CC(O)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of 1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
The InChIKey is ILRPKCKEWAVUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c1-3(12)4-2-10-11-5(4)6(7,8)9/h2-3,12H,1H3,(H,10,11).
What are the key properties of 1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol has a molecular weight of 180.13 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol is sourced from PubChem (CID 141194095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).