4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C21H15F3N3- — CID 140780300

IUPAC4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCc1cc2ccccc2c(C)c1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1
InChIInChI=1S/C21H15F3N3/c1-12-9-14-5-3-4-6-16(14)13(2)20(12)15-7-8-25-17(10-15)18-11-19(27-26-18)21(22,23)24/h3-11H,1-2H3/q-1
InChIKeyXKOJBZLDUFHBFM-UHFFFAOYSA-N
MW366.37 g/mol
LogP5.56
Rot. Bonds2

About 4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 140780300) has the molecular formula C21H15F3N3- and a molecular weight of 366.37 g/mol. Its IUPAC name is 4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Name4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID140780300
Molecular FormulaC21H15F3N3-
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCc1cc2ccccc2c(C)c1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1
InChIInChI=1S/C21H15F3N3/c1-12-9-14-5-3-4-6-16(14)13(2)20(12)15-7-8-25-17(10-15)18-11-19(27-26-18)21(22,23)24/h3-11H,1-2H3/q-1
InChIKeyXKOJBZLDUFHBFM-UHFFFAOYSA-N
XLogP5.56
TPSA39.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.37
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,6-dimethylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-ethenyl-2,6-bis(4-ethenyl-2-pyridinyl)pyridine;ruthenium(2+)
CID 153445775
bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine
CID 140775460
N-[4-(3-fluoropyrazol-1-id-5-yl)pyrimidin-2-yl]-N-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-amine;platinum(2+)
CID 140723080
bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 158317289
2-(2,4-difluoro-3-phenylbenzene-6-id-1-yl)pyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58880819
bis(4-(3-tert-butylpyrazol-1-id-5-yl)-2-methylpyrimidine);platinum(2+)
CID 140723061
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium(3+);bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 59729593
3-(4-fluorobenzene-6-id-1-yl)-6-methylpyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 168793708
4-(2,6-dimethylphenyl)-2-naphthalen-2-ylpyridine
CID 140733756
8-(4-methylphenyl)-1-[4-(trifluoromethyl)naphthalen-2-yl]naphtho[2,1-f]isoquinoline
CID 177091528
3-(2,4-difluorobenzene-6-id-1-yl)-6-methylpyridazine;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 168793697
2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine
CID 88908907

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of 4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 140780300) is 4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for 4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for 4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is Cc1cc2ccccc2c(C)c1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.
What is the InChIKey of 4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is XKOJBZLDUFHBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N3/c1-12-9-14-5-3-4-6-16(14)13(2)20(12)15-7-8-25-17(10-15)18-11-19(27-26-18)21(22,23)24/h3-11H,1-2H3/q-1.
What are the key properties of 4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 366.37 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylnaphthalen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 140780300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).