4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyridin-3-amine

C12H13F3N4O — CID 106748571

IUPAC4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyridin-3-amine
SMILESCCCn1cc(Oc2cc(C(F)(F)F)ncc2N)cn1
InChIInChI=1S/C12H13F3N4O/c1-2-3-19-7-8(5-18-19)20-10-4-11(12(13,14)15)17-6-9(10)16/h4-7H,2-3,16H2,1H3
InChIKeyOAROXYRXCAEQLM-UHFFFAOYSA-N
MW286.26 g/mol
LogP3.08
Rot. Bonds4

About 4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyridin-3-amine

4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 106748571) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is 4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyridin-3-amine
PubChem CID106748571
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyridin-3-amine
SMILESCCCn1cc(Oc2cc(C(F)(F)F)ncc2N)cn1
InChIInChI=1S/C12H13F3N4O/c1-2-3-19-7-8(5-18-19)20-10-4-11(12(13,14)15)17-6-9(10)16/h4-7H,2-3,16H2,1H3
InChIKeyOAROXYRXCAEQLM-UHFFFAOYSA-N
XLogP3.08
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-propoxy-4-(1-propylpyrazol-4-yl)oxyaniline
CID 116800416
3-fluoro-5-(1-propylpyrazol-4-yl)oxyaniline
CID 116800410
2-(1-propylpyrazol-4-yl)oxypyridin-4-amine
CID 116800439
5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline
CID 116800247
4-(2-bromo-4-methoxyphenoxy)-6-(trifluoromethyl)pyridin-3-amine
CID 106748562
5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline
CID 116800312
6-bromo-4-(1-propylpyrazol-4-yl)oxyquinolin-3-amine
CID 116800405
3-amino-N-ethyl-4-(1-propylpyrazol-4-yl)oxybenzamide
CID 116800376
2-(1-butylpyrazol-4-yl)oxyaniline
CID 166174631
4-(2-methylpentoxy)-6-(trifluoromethyl)pyridin-3-amine
CID 106748590
4-propoxy-1-propylpyrazole
CID 116805185
N-methyl-6-(1-propylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774804

Frequently Asked Questions

What is the IUPAC name of 4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyridin-3-amine (CID 106748571) is 4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyridin-3-amine is CCCn1cc(Oc2cc(C(F)(F)F)ncc2N)cn1.
What is the InChIKey of 4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is OAROXYRXCAEQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c1-2-3-19-7-8(5-18-19)20-10-4-11(12(13,14)15)17-6-9(10)16/h4-7H,2-3,16H2,1H3.
What are the key properties of 4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyridin-3-amine?
4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 286.26 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 106748571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).