2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]pyridin-3-amine;2,2,2-trifluoroacetic acid

C17H15F3N4O2 — CID 154925149

IUPAC2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]pyridin-3-amine;2,2,2-trifluoroacetic acid
SMILESCc1nc(-c2cccc(-c3ccn[nH]3)c2)ccc1N.O=C(O)C(F)(F)F
InChIInChI=1S/C15H14N4.C2HF3O2/c1-10-13(16)5-6-14(18-10)11-3-2-4-12(9-11)15-7-8-17-19-15;3-2(4,5)1(6)7/h2-9H,16H2,1H3,(H,17,19);(H,6,7)
InChIKeyVWCWRQNXAURSCK-UHFFFAOYSA-N
MW364.33 g/mol
LogP3.66
Rot. Bonds2

About 2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]pyridin-3-amine;2,2,2-trifluoroacetic acid

2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]pyridin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 154925149) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is 2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]pyridin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]pyridin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID154925149
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]pyridin-3-amine;2,2,2-trifluoroacetic acid
SMILESCc1nc(-c2cccc(-c3ccn[nH]3)c2)ccc1N.O=C(O)C(F)(F)F
InChIInChI=1S/C15H14N4.C2HF3O2/c1-10-13(16)5-6-14(18-10)11-3-2-4-12(9-11)15-7-8-17-19-15;3-2(4,5)1(6)7/h2-9H,16H2,1H3,(H,17,19);(H,6,7)
InChIKeyVWCWRQNXAURSCK-UHFFFAOYSA-N
XLogP3.66
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-[3-(1H-pyrazol-5-yl)phenyl]imidazole;2,2,2-trifluoroacetic acid
CID 154889336
4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]pyridine;2,2,2-trifluoroacetic acid
CID 154924404
N-[[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]methyl]ethanamine;2,2,2-trifluoroacetic acid
CID 154891054
2-[3-(1H-pyrazol-5-yl)phenyl]-6-(trifluoromethyl)pyridine
CID 30877146
2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]-4-(trifluoromethyl)pyridine
CID 29088820
5-[3-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide
CID 30877174
N-[[4-[3-(1H-pyrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine;2,2,2-trifluoroacetic acid
CID 68603893
3-methyl-N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]-4,5,6,7-tetrahydro-2H-indazol-6-amine;2,2,2-trifluoroacetic acid
CID 166290256
5-[3-(1,2,2,2-tetrafluoroethyl)phenyl]-1H-pyrazole
CID 167981812
N-methoxy-N-methyl-3-(1H-pyrazol-5-yl)benzamide
CID 87067779
1-[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]ethanol
CID 45231150
2-amino-3-[3-(1H-pyrazol-5-yl)phenyl]propanoic acid;hydrochloride
CID 135330870

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]pyridin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]pyridin-3-amine;2,2,2-trifluoroacetic acid (CID 154925149) is 2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]pyridin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]pyridin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]pyridin-3-amine;2,2,2-trifluoroacetic acid is Cc1nc(-c2cccc(-c3ccn[nH]3)c2)ccc1N.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]pyridin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is VWCWRQNXAURSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4.C2HF3O2/c1-10-13(16)5-6-14(18-10)11-3-2-4-12(9-11)15-7-8-17-19-15;3-2(4,5)1(6)7/h2-9H,16H2,1H3,(H,17,19);(H,6,7).
What are the key properties of 2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]pyridin-3-amine;2,2,2-trifluoroacetic acid?
2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]pyridin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 364.33 g/mol, XLogP of 3.66, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]pyridin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154925149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).