1-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine

C12H12F3N3O — CID 63316113

IUPAC1-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine
SMILESNc1ccn(CCOc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)9-3-1-2-4-10(9)19-8-7-18-6-5-11(16)17-18/h1-6H,7-8H2,(H2,16,17)
InChIKeyKDLJNOAJABHIIN-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.56
Rot. Bonds4

About 1-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine

1-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine (PubChem CID 63316113) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 1-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine
PubChem CID63316113
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name1-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine
SMILESNc1ccn(CCOc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)9-3-1-2-4-10(9)19-8-7-18-6-5-11(16)17-18/h1-6H,7-8H2,(H2,16,17)
InChIKeyKDLJNOAJABHIIN-UHFFFAOYSA-N
XLogP2.56
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-ethylphenoxy)ethyl]pyrazol-3-amine
CID 63315859
1-[2-[2-(trifluoromethyl)phenoxy]ethyl]triazole
CID 86816529
1-[3-(2-bromophenoxy)propyl]pyrazol-3-amine
CID 63311464
1-[2-(2-tert-butyl-5-methylphenoxy)ethyl]pyrazol-3-amine
CID 63316422
1-[2-(2-fluoro-5-methylphenoxy)ethyl]pyrazol-3-amine
CID 64853417
1-[2-(2,4-dimethylphenoxy)ethyl]pyrazol-3-amine
CID 63316415
1-[2-(2,3,5-trimethylphenoxy)ethyl]pyrazol-3-amine
CID 63316162
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine
CID 63316247
N-[2-[3-(3-aminopyrazol-1-yl)propoxy]phenyl]acetamide
CID 63311110
1-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyrazol-3-amine
CID 104706819
1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-ol
CID 110910733
1-[2-(2-pyridin-2-ylethoxy)ethyl]pyrazol-3-amine
CID 55205458

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine (CID 63316113) is 1-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine is Nc1ccn(CCOc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 1-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine?
The InChIKey is KDLJNOAJABHIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c13-12(14,15)9-3-1-2-4-10(9)19-8-7-18-6-5-11(16)17-18/h1-6H,7-8H2,(H2,16,17).
What are the key properties of 1-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine?
1-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine has a molecular weight of 271.24 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine is sourced from PubChem (CID 63316113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).