2-amino-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol

C6H8F3N3O — CID 82657158

IUPAC2-amino-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
SMILESNC(CO)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C6H8F3N3O/c7-6(8,9)5-3(1-11-12-5)4(10)2-13/h1,4,13H,2,10H2,(H,11,12)
InChIKeyPRVIKGGBOUKSEC-UHFFFAOYSA-N
MW195.14 g/mol
LogP0.42
Rot. Bonds2

About 2-amino-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol

2-amino-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol (PubChem CID 82657158) has the molecular formula C6H8F3N3O and a molecular weight of 195.14 g/mol. Its IUPAC name is 2-amino-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
PubChem CID82657158
Molecular FormulaC6H8F3N3O
Molecular Weight195.14 g/mol
Exact Mass195.06
IUPAC Name2-amino-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
SMILESNC(CO)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C6H8F3N3O/c7-6(8,9)5-3(1-11-12-5)4(10)2-13/h1,4,13H,2,10H2,(H,11,12)
InChIKeyPRVIKGGBOUKSEC-UHFFFAOYSA-N
XLogP0.42
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
The IUPAC name of 2-amino-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol (CID 82657158) is 2-amino-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
The canonical SMILES for 2-amino-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol is NC(CO)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of 2-amino-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
The InChIKey is PRVIKGGBOUKSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O/c7-6(8,9)5-3(1-11-12-5)4(10)2-13/h1,4,13H,2,10H2,(H,11,12).
What are the key properties of 2-amino-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
2-amino-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol has a molecular weight of 195.14 g/mol, XLogP of 0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol is sourced from PubChem (CID 82657158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).