3-ethenyl-4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine

C12H11F3N4 — CID 126663634

IUPAC3-ethenyl-4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine
SMILESC=Cc1c(-n2cc(C)c(C(F)(F)F)n2)ccnc1N
InChIInChI=1S/C12H11F3N4/c1-3-8-9(4-5-17-11(8)16)19-6-7(2)10(18-19)12(13,14)15/h3-6H,1H2,2H3,(H2,16,17)
InChIKeyXNJFABFBFKBPJL-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.82
Rot. Bonds2

About 3-ethenyl-4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine

3-ethenyl-4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine (PubChem CID 126663634) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 3-ethenyl-4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-ethenyl-4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine
PubChem CID126663634
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name3-ethenyl-4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine
SMILESC=Cc1c(-n2cc(C)c(C(F)(F)F)n2)ccnc1N
InChIInChI=1S/C12H11F3N4/c1-3-8-9(4-5-17-11(8)16)19-6-7(2)10(18-19)12(13,14)15/h3-6H,1H2,2H3,(H2,16,17)
InChIKeyXNJFABFBFKBPJL-UHFFFAOYSA-N
XLogP2.82
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine?
The IUPAC name of 3-ethenyl-4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine (CID 126663634) is 3-ethenyl-4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine.
What is the SMILES notation for 3-ethenyl-4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine?
The canonical SMILES for 3-ethenyl-4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine is C=Cc1c(-n2cc(C)c(C(F)(F)F)n2)ccnc1N.
What is the InChIKey of 3-ethenyl-4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine?
The InChIKey is XNJFABFBFKBPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c1-3-8-9(4-5-17-11(8)16)19-6-7(2)10(18-19)12(13,14)15/h3-6H,1H2,2H3,(H2,16,17).
What are the key properties of 3-ethenyl-4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine?
3-ethenyl-4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine has a molecular weight of 268.24 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine is sourced from PubChem (CID 126663634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).