3-[(5-methyl-1H-pyrazol-3-yl)oxy]-5-(trifluoromethyl)aniline

C11H10F3N3O — CID 82995322

IUPAC3-[(5-methyl-1H-pyrazol-3-yl)oxy]-5-(trifluoromethyl)aniline
SMILESCc1cc(Oc2cc(N)cc(C(F)(F)F)c2)n[nH]1
InChIInChI=1S/C11H10F3N3O/c1-6-2-10(17-16-6)18-9-4-7(11(12,13)14)3-8(15)5-9/h2-5H,15H2,1H3,(H,16,17)
InChIKeyKUPIQYPNOYZNHC-UHFFFAOYSA-N
MW257.21 g/mol
LogP3.11
Rot. Bonds2

About 3-[(5-methyl-1H-pyrazol-3-yl)oxy]-5-(trifluoromethyl)aniline

3-[(5-methyl-1H-pyrazol-3-yl)oxy]-5-(trifluoromethyl)aniline (PubChem CID 82995322) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is 3-[(5-methyl-1H-pyrazol-3-yl)oxy]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-[(5-methyl-1H-pyrazol-3-yl)oxy]-5-(trifluoromethyl)aniline
PubChem CID82995322
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name3-[(5-methyl-1H-pyrazol-3-yl)oxy]-5-(trifluoromethyl)aniline
SMILESCc1cc(Oc2cc(N)cc(C(F)(F)F)c2)n[nH]1
InChIInChI=1S/C11H10F3N3O/c1-6-2-10(17-16-6)18-9-4-7(11(12,13)14)3-8(15)5-9/h2-5H,15H2,1H3,(H,16,17)
InChIKeyKUPIQYPNOYZNHC-UHFFFAOYSA-N
XLogP3.11
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1H-pyrazol-3-yl)oxy]-5-(trifluoromethyl)aniline?
The IUPAC name of 3-[(5-methyl-1H-pyrazol-3-yl)oxy]-5-(trifluoromethyl)aniline (CID 82995322) is 3-[(5-methyl-1H-pyrazol-3-yl)oxy]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-[(5-methyl-1H-pyrazol-3-yl)oxy]-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-[(5-methyl-1H-pyrazol-3-yl)oxy]-5-(trifluoromethyl)aniline is Cc1cc(Oc2cc(N)cc(C(F)(F)F)c2)n[nH]1.
What is the InChIKey of 3-[(5-methyl-1H-pyrazol-3-yl)oxy]-5-(trifluoromethyl)aniline?
The InChIKey is KUPIQYPNOYZNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-6-2-10(17-16-6)18-9-4-7(11(12,13)14)3-8(15)5-9/h2-5H,15H2,1H3,(H,16,17).
What are the key properties of 3-[(5-methyl-1H-pyrazol-3-yl)oxy]-5-(trifluoromethyl)aniline?
3-[(5-methyl-1H-pyrazol-3-yl)oxy]-5-(trifluoromethyl)aniline has a molecular weight of 257.21 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1H-pyrazol-3-yl)oxy]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 82995322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).