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

C6H8F3N3O — CID 95935056

IUPAC(1S)-2-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
SMILESNC[C@@H](O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C6H8F3N3O/c7-6(8,9)5-3(2-11-12-5)4(13)1-10/h2,4,13H,1,10H2,(H,11,12)/t4-/m1/s1
InChIKeyCOQPOIURQWZFFV-SCSAIBSYSA-N
MW195.14 g/mol
LogP0.42
Rot. Bonds2

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

(1S)-2-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol (PubChem CID 95935056) has the molecular formula C6H8F3N3O and a molecular weight of 195.14 g/mol. Its IUPAC name is (1S)-2-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
PubChem CID95935056
Molecular FormulaC6H8F3N3O
Molecular Weight195.14 g/mol
Exact Mass195.06
IUPAC Name(1S)-2-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
SMILESNC[C@@H](O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C6H8F3N3O/c7-6(8,9)5-3(2-11-12-5)4(13)1-10/h2,4,13H,1,10H2,(H,11,12)/t4-/m1/s1
InChIKeyCOQPOIURQWZFFV-SCSAIBSYSA-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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Related Compounds

2-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-ol
CID 58230786
(5-ethyl-1H-pyrazol-4-yl)methanol
CID 66440409
(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
1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
CID 141194095
2-amino-1-[3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 82400680
2-amino-2-[3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 82657158
1,1,1,3,3,3-Hexafluoro-2-(5-methyl-1h-pyrazol-4-yl)propan-2-ol
CID 83384965
(1R)-2-amino-1-[3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 95935057
(1R)-3-amino-1-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
CID 96615620

Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
The IUPAC name of (1S)-2-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol (CID 95935056) is (1S)-2-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol.
What is the SMILES notation for (1S)-2-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
The canonical SMILES for (1S)-2-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol is NC[C@@H](O)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of (1S)-2-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
The InChIKey is COQPOIURQWZFFV-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H8F3N3O/c7-6(8,9)5-3(2-11-12-5)4(13)1-10/h2,4,13H,1,10H2,(H,11,12)/t4-/m1/s1.
What are the key properties of (1S)-2-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol?
(1S)-2-amino-1-[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 (1S)-2-amino-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol is sourced from PubChem (CID 95935056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).