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

C12H12F3N3O — CID 63316032

IUPAC1-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine
SMILESNc1ccn(CCOc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)9-2-1-3-10(8-9)19-7-6-18-5-4-11(16)17-18/h1-5,8H,6-7H2,(H2,16,17)
InChIKeyBCQZSDKLTOQTPG-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.56
Rot. Bonds4

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

1-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine (PubChem CID 63316032) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 1-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine
PubChem CID63316032
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name1-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine
SMILESNc1ccn(CCOc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)9-2-1-3-10(8-9)19-7-6-18-5-4-11(16)17-18/h1-5,8H,6-7H2,(H2,16,17)
InChIKeyBCQZSDKLTOQTPG-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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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine (CID 63316032) is 1-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine is Nc1ccn(CCOc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 1-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine?
The InChIKey is BCQZSDKLTOQTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c13-12(14,15)9-2-1-3-10(8-9)19-7-6-18-5-4-11(16)17-18/h1-5,8H,6-7H2,(H2,16,17).
What are the key properties of 1-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine?
1-[2-[3-(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-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine is sourced from PubChem (CID 63316032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).