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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1H-pyrazol-5-yl)pyridine
CID 7074967
3-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9877457
5-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9942221
4-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9964177
(3-(pyridin-3-yl)-1H-pyrazol-5-yl)methanamine
CID 11993870
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
(1S,3R)-N-((1-ethyl-5-(5-fluoro-6-methylpyridin-3-yl)-4-methyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45270907
(1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3-yl)-1-isopropyl-4-methyl-1H-pyrazol-3-yl)methyl)cyclopentanamine
CID 45273531
2-methyl-5-(1H-pyrazol-5-yl)pyridine
CID 2805912
5-(Pyridine-4-Yl)-3-(Trifluoromethyl)Pyrazole
CID 2822970
4-(1H-Pyrazol-3-yl)pyridine
CID 16412755
3-(5-Methyl-1H-pyrazol-3-yl)pyridine
CID 12707229

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).