5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-2-amine

C17H12F6N4 — CID 71473863

IUPAC5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-2-amine
SMILESCc1cc(C(F)(F)F)nn1-c1ccc(NCc2c(F)cc(F)cc2F)nc1
InChIInChI=1S/C17H12F6N4/c1-9-4-15(17(21,22)23)26-27(9)11-2-3-16(24-7-11)25-8-12-13(19)5-10(18)6-14(12)20/h2-7H,8H2,1H3,(H,24,25)
InChIKeyCIGKJEOMTUZQNT-UHFFFAOYSA-N
MW386.30 g/mol
LogP4.62
Rot. Bonds4

About 5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-2-amine

5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-2-amine (PubChem CID 71473863) has the molecular formula C17H12F6N4 and a molecular weight of 386.30 g/mol. Its IUPAC name is 5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-2-amine
PubChem CID71473863
Molecular FormulaC17H12F6N4
Molecular Weight386.30 g/mol
Exact Mass386.10
IUPAC Name5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-2-amine
SMILESCc1cc(C(F)(F)F)nn1-c1ccc(NCc2c(F)cc(F)cc2F)nc1
InChIInChI=1S/C17H12F6N4/c1-9-4-15(17(21,22)23)26-27(9)11-2-3-16(24-7-11)25-8-12-13(19)5-10(18)6-14(12)20/h2-7H,8H2,1H3,(H,24,25)
InChIKeyCIGKJEOMTUZQNT-UHFFFAOYSA-N
XLogP4.62
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-2-amine (CID 71473863) is 5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-2-amine is Cc1cc(C(F)(F)F)nn1-c1ccc(NCc2c(F)cc(F)cc2F)nc1.
What is the InChIKey of 5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-2-amine?
The InChIKey is CIGKJEOMTUZQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F6N4/c1-9-4-15(17(21,22)23)26-27(9)11-2-3-16(24-7-11)25-8-12-13(19)5-10(18)6-14(12)20/h2-7H,8H2,1H3,(H,24,25).
What are the key properties of 5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-2-amine?
5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-2-amine has a molecular weight of 386.30 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2,4,6-trifluorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 71473863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).