2-methyl-6-(3-phenyl-1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]pyridine

C22H16F3N3 — CID 141288902

IUPAC2-methyl-6-(3-phenyl-1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cc(-c3ccccc3)n[nH]2)n1
InChIInChI=1S/C22H16F3N3/c1-14-11-17(15-7-9-18(10-8-15)22(23,24)25)12-20(26-14)21-13-19(27-28-21)16-5-3-2-4-6-16/h2-13H,1H3,(H,27,28)
InChIKeyUPNFEESDWYFRGM-UHFFFAOYSA-N
MW379.39 g/mol
LogP6.13
Rot. Bonds3

About 2-methyl-6-(3-phenyl-1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]pyridine

2-methyl-6-(3-phenyl-1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 141288902) has the molecular formula C22H16F3N3 and a molecular weight of 379.39 g/mol. Its IUPAC name is 2-methyl-6-(3-phenyl-1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-methyl-6-(3-phenyl-1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID141288902
Molecular FormulaC22H16F3N3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC Name2-methyl-6-(3-phenyl-1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cc(-c3ccccc3)n[nH]2)n1
InChIInChI=1S/C22H16F3N3/c1-14-11-17(15-7-9-18(10-8-15)22(23,24)25)12-20(26-14)21-13-19(27-28-21)16-5-3-2-4-6-16/h2-13H,1H3,(H,27,28)
InChIKeyUPNFEESDWYFRGM-UHFFFAOYSA-N
XLogP6.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.39
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-phenyl-1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-methyl-6-(3-phenyl-1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]pyridine (CID 141288902) is 2-methyl-6-(3-phenyl-1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-methyl-6-(3-phenyl-1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-methyl-6-(3-phenyl-1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]pyridine is Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cc(-c3ccccc3)n[nH]2)n1.
What is the InChIKey of 2-methyl-6-(3-phenyl-1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is UPNFEESDWYFRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3/c1-14-11-17(15-7-9-18(10-8-15)22(23,24)25)12-20(26-14)21-13-19(27-28-21)16-5-3-2-4-6-16/h2-13H,1H3,(H,27,28).
What are the key properties of 2-methyl-6-(3-phenyl-1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]pyridine?
2-methyl-6-(3-phenyl-1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 379.39 g/mol, XLogP of 6.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-phenyl-1H-pyrazol-5-yl)-4-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 141288902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).