(2S)-2-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol

C7H10F3N3O — CID 96863971

IUPAC(2S)-2-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESCn1cc([C@H](N)CO)c(C(F)(F)F)n1
InChIInChI=1S/C7H10F3N3O/c1-13-2-4(5(11)3-14)6(12-13)7(8,9)10/h2,5,14H,3,11H2,1H3/t5-/m1/s1
InChIKeyLZROYQRLLIBTBK-RXMQYKEDSA-N
MW209.17 g/mol
LogP0.43
Rot. Bonds2

About (2S)-2-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol

(2S)-2-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol (PubChem CID 96863971) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is (2S)-2-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
PubChem CID96863971
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name(2S)-2-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESCn1cc([C@H](N)CO)c(C(F)(F)F)n1
InChIInChI=1S/C7H10F3N3O/c1-13-2-4(5(11)3-14)6(12-13)7(8,9)10/h2,5,14H,3,11H2,1H3/t5-/m1/s1
InChIKeyLZROYQRLLIBTBK-RXMQYKEDSA-N
XLogP0.43
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The IUPAC name of (2S)-2-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol (CID 96863971) is (2S)-2-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for (2S)-2-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The canonical SMILES for (2S)-2-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol is Cn1cc([C@H](N)CO)c(C(F)(F)F)n1.
What is the InChIKey of (2S)-2-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The InChIKey is LZROYQRLLIBTBK-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-13-2-4(5(11)3-14)6(12-13)7(8,9)10/h2,5,14H,3,11H2,1H3/t5-/m1/s1.
What are the key properties of (2S)-2-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
(2S)-2-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol has a molecular weight of 209.17 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 96863971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).