1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-amine

C12H12F3N3O — CID 43554457

IUPAC1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-amine
SMILESCc1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1N
InChIInChI=1S/C12H12F3N3O/c1-7-10(16)11(18(2)17-7)19-9-5-3-4-8(6-9)12(13,14)15/h3-6H,16H2,1-2H3
InChIKeyQOMJUJYVWMJKDO-UHFFFAOYSA-N
MW271.24 g/mol
LogP3.12
Rot. Bonds2

About 1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-amine

1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-amine (PubChem CID 43554457) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-amine
PubChem CID43554457
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-amine
SMILESCc1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1N
InChIInChI=1S/C12H12F3N3O/c1-7-10(16)11(18(2)17-7)19-9-5-3-4-8(6-9)12(13,14)15/h3-6H,16H2,1-2H3
InChIKeyQOMJUJYVWMJKDO-UHFFFAOYSA-N
XLogP3.12
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-amine (CID 43554457) is 1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-amine is Cc1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1N.
What is the InChIKey of 1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-amine?
The InChIKey is QOMJUJYVWMJKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-7-10(16)11(18(2)17-7)19-9-5-3-4-8(6-9)12(13,14)15/h3-6H,16H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-amine?
1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-amine has a molecular weight of 271.24 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-amine is sourced from PubChem (CID 43554457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).