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

C7H10F3N3O — CID 96863976

IUPAC(1R)-2-amino-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESCn1cc([C@@H](O)CN)c(C(F)(F)F)n1
InChIInChI=1S/C7H10F3N3O/c1-13-3-4(5(14)2-11)6(12-13)7(8,9)10/h3,5,14H,2,11H2,1H3/t5-/m0/s1
InChIKeyXHICGFIJGIPMIE-YFKPBYRVSA-N
MW209.17 g/mol
LogP0.43
Rot. Bonds2

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

(1R)-2-amino-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol (PubChem CID 96863976) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is (1R)-2-amino-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name(1R)-2-amino-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
PubChem CID96863976
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name(1R)-2-amino-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESCn1cc([C@@H](O)CN)c(C(F)(F)F)n1
InChIInChI=1S/C7H10F3N3O/c1-13-3-4(5(14)2-11)6(12-13)7(8,9)10/h3,5,14H,2,11H2,1H3/t5-/m0/s1
InChIKeyXHICGFIJGIPMIE-YFKPBYRVSA-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

Analyze (1R)-2-amino-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)methanol
CID 2807828
2-amino-1-(trimethyl-1H-pyrazol-4-yl)ethan-1-ol
CID 16767727
[5-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methanol
CID 66437455
[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methanol
CID 119031793
(1S)-1-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 146048589
(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanol
CID 51698679
(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol
CID 21039553
[1-Ethyl-3-trifluoromethyl-1H-pyrazol-4-yl]-methanol
CID 57574509
(1-isobutyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol
CID 58020550
[1-Isopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
CID 58020671
[1-Piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 71033644
[1-Piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]methanol
CID 71033684

Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The IUPAC name of (1R)-2-amino-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol (CID 96863976) is (1R)-2-amino-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for (1R)-2-amino-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The canonical SMILES for (1R)-2-amino-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol is Cn1cc([C@@H](O)CN)c(C(F)(F)F)n1.
What is the InChIKey of (1R)-2-amino-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The InChIKey is XHICGFIJGIPMIE-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-13-3-4(5(14)2-11)6(12-13)7(8,9)10/h3,5,14H,2,11H2,1H3/t5-/m0/s1.
What are the key properties of (1R)-2-amino-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
(1R)-2-amino-1-[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 (1R)-2-amino-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 96863976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).