6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine

C10H9F3N4O — CID 102720058

IUPAC6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1cc(Oc2cc(C(F)(F)F)cc(N)n2)n[nH]1
InChIInChI=1S/C10H9F3N4O/c1-5-2-9(17-16-5)18-8-4-6(10(11,12)13)3-7(14)15-8/h2-4H,1H3,(H2,14,15)(H,16,17)
InChIKeyKSCXTMXCAJJLQF-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.51
Rot. Bonds2

About 6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine

6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102720058) has the molecular formula C10H9F3N4O and a molecular weight of 258.20 g/mol. Its IUPAC name is 6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102720058
Molecular FormulaC10H9F3N4O
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Name6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1cc(Oc2cc(C(F)(F)F)cc(N)n2)n[nH]1
InChIInChI=1S/C10H9F3N4O/c1-5-2-9(17-16-5)18-8-4-6(10(11,12)13)3-7(14)15-8/h2-4H,1H3,(H2,14,15)(H,16,17)
InChIKeyKSCXTMXCAJJLQF-UHFFFAOYSA-N
XLogP2.51
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine (CID 102720058) is 6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine is Cc1cc(Oc2cc(C(F)(F)F)cc(N)n2)n[nH]1.
What is the InChIKey of 6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KSCXTMXCAJJLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O/c1-5-2-9(17-16-5)18-8-4-6(10(11,12)13)3-7(14)15-8/h2-4H,1H3,(H2,14,15)(H,16,17).
What are the key properties of 6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine?
6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 258.20 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methyl-1H-pyrazol-3-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102720058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).