4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]pyridine;2,2,2-trifluoroacetic acid

C17H14F3N3O2 — CID 154924404

IUPAC4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]pyridine;2,2,2-trifluoroacetic acid
SMILESCc1ccncc1-c1cccc(-c2ccn[nH]2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H13N3.C2HF3O2/c1-11-5-7-16-10-14(11)12-3-2-4-13(9-12)15-6-8-17-18-15;3-2(4,5)1(6)7/h2-10H,1H3,(H,17,18);(H,6,7)
InChIKeyIBVVWVBZIQAOPN-UHFFFAOYSA-N
MW349.31 g/mol
LogP4.08
Rot. Bonds2

About 4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]pyridine;2,2,2-trifluoroacetic acid

4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 154924404) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]pyridine;2,2,2-trifluoroacetic acid
PubChem CID154924404
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]pyridine;2,2,2-trifluoroacetic acid
SMILESCc1ccncc1-c1cccc(-c2ccn[nH]2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H13N3.C2HF3O2/c1-11-5-7-16-10-14(11)12-3-2-4-13(9-12)15-6-8-17-18-15;3-2(4,5)1(6)7/h2-10H,1H3,(H,17,18);(H,6,7)
InChIKeyIBVVWVBZIQAOPN-UHFFFAOYSA-N
XLogP4.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[3-(1H-pyrazol-5-yl)phenyl]imidazole;2,2,2-trifluoroacetic acid
CID 154889336
2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]pyridin-3-amine;2,2,2-trifluoroacetic acid
CID 154925149
N-[[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]methyl]ethanamine;2,2,2-trifluoroacetic acid
CID 154891054
3-[3-[4-[3,5-bis(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(4-methyl-3-pyridinyl)phenyl]-4-methylpyridine
CID 59609405
5-fluoro-3-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide
CID 146075209
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
1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 60969581
N-[4-methyl-2-[3-(1H-pyrazol-5-yl)phenyl]phenyl]propanamide
CID 29084327
4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]-1,2-oxazole-5-carboxamide
CID 66335716
2-(tert-butylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 47842566
4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine
CID 59609434

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]pyridine;2,2,2-trifluoroacetic acid (CID 154924404) is 4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]pyridine;2,2,2-trifluoroacetic acid is Cc1ccncc1-c1cccc(-c2ccn[nH]2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is IBVVWVBZIQAOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3.C2HF3O2/c1-11-5-7-16-10-14(11)12-3-2-4-13(9-12)15-6-8-17-18-15;3-2(4,5)1(6)7/h2-10H,1H3,(H,17,18);(H,6,7).
What are the key properties of 4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]pyridine;2,2,2-trifluoroacetic acid?
4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 349.31 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[3-(1H-pyrazol-5-yl)phenyl]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154924404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).