6-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-4-methylpyridin-3-amine

C12H10F6N4 — CID 87298995

IUPAC6-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-4-methylpyridin-3-amine
SMILESCc1cc(Cn2nc(C(F)(F)F)cc2C(F)(F)F)ncc1N
InChIInChI=1S/C12H10F6N4/c1-6-2-7(20-4-8(6)19)5-22-10(12(16,17)18)3-9(21-22)11(13,14)15/h2-4H,5,19H2,1H3
InChIKeySANLIEMNEJXWTP-UHFFFAOYSA-N
MW324.23 g/mol
LogP3.25
Rot. Bonds2

About 6-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-4-methylpyridin-3-amine

6-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-4-methylpyridin-3-amine (PubChem CID 87298995) has the molecular formula C12H10F6N4 and a molecular weight of 324.23 g/mol. Its IUPAC name is 6-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-4-methylpyridin-3-amine.

Molecular Properties

Compound Name6-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-4-methylpyridin-3-amine
PubChem CID87298995
Molecular FormulaC12H10F6N4
Molecular Weight324.23 g/mol
Exact Mass324.08
IUPAC Name6-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-4-methylpyridin-3-amine
SMILESCc1cc(Cn2nc(C(F)(F)F)cc2C(F)(F)F)ncc1N
InChIInChI=1S/C12H10F6N4/c1-6-2-7(20-4-8(6)19)5-22-10(12(16,17)18)3-9(21-22)11(13,14)15/h2-4H,5,19H2,1H3
InChIKeySANLIEMNEJXWTP-UHFFFAOYSA-N
XLogP3.25
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-4-methylpyridin-3-amine?
The IUPAC name of 6-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-4-methylpyridin-3-amine (CID 87298995) is 6-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-4-methylpyridin-3-amine.
What is the SMILES notation for 6-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-4-methylpyridin-3-amine?
The canonical SMILES for 6-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-4-methylpyridin-3-amine is Cc1cc(Cn2nc(C(F)(F)F)cc2C(F)(F)F)ncc1N.
What is the InChIKey of 6-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-4-methylpyridin-3-amine?
The InChIKey is SANLIEMNEJXWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F6N4/c1-6-2-7(20-4-8(6)19)5-22-10(12(16,17)18)3-9(21-22)11(13,14)15/h2-4H,5,19H2,1H3.
What are the key properties of 6-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-4-methylpyridin-3-amine?
6-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-4-methylpyridin-3-amine has a molecular weight of 324.23 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-4-methylpyridin-3-amine is sourced from PubChem (CID 87298995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).