1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine

C11H10F3N3O — CID 67417359

IUPAC1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2N)cc1
InChIInChI=1S/C11H10F3N3O/c1-18-8-4-2-7(3-5-8)17-10(15)6-9(16-17)11(12,13)14/h2-6H,15H2,1H3
InChIKeySKYOTRGFSOQAPL-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.48
Rot. Bonds2

About 1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine

1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 67417359) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID67417359
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2N)cc1
InChIInChI=1S/C11H10F3N3O/c1-18-8-4-2-7(3-5-8)17-10(15)6-9(16-17)11(12,13)14/h2-6H,15H2,1H3
InChIKeySKYOTRGFSOQAPL-UHFFFAOYSA-N
XLogP2.48
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine (CID 67417359) is 1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine is COc1ccc(-n2nc(C(F)(F)F)cc2N)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is SKYOTRGFSOQAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-18-8-4-2-7(3-5-8)17-10(15)6-9(16-17)11(12,13)14/h2-6H,15H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine?
1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 257.22 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 67417359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).