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

C19H18F3N3 — CID 129314749

IUPAC2-(4-tert-butylphenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCC(C)(C)c1ccc(-c2cccc(-c3cc(C(F)(F)F)[nH]n3)n2)cc1
InChIInChI=1S/C19H18F3N3/c1-18(2,3)13-9-7-12(8-10-13)14-5-4-6-15(23-14)16-11-17(25-24-16)19(20,21)22/h4-11H,1-3H3,(H,24,25)
InChIKeyQJCCHCARSYJJSV-UHFFFAOYSA-N
MW345.37 g/mol
LogP5.45
Rot. Bonds2

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

2-(4-tert-butylphenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 129314749) has the molecular formula C19H18F3N3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
PubChem CID129314749
Molecular FormulaC19H18F3N3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name2-(4-tert-butylphenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCC(C)(C)c1ccc(-c2cccc(-c3cc(C(F)(F)F)[nH]n3)n2)cc1
InChIInChI=1S/C19H18F3N3/c1-18(2,3)13-9-7-12(8-10-13)14-5-4-6-15(23-14)16-11-17(25-24-16)19(20,21)22/h4-11H,1-3H3,(H,24,25)
InChIKeyQJCCHCARSYJJSV-UHFFFAOYSA-N
XLogP5.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.37
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-tert-butylphenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis(4-tert-butylphenyl)-4-[2-(4-tert-butylphenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-yl]aniline
CID 153445593
2-[2,7-ditert-butyl-9-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]fluoren-9-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 122218757
2-(5-tert-butyl-1H-pyrazol-3-yl)-6-[2-[6-(5-tert-butyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]pyridine
CID 159840695
ruthenium;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 158678691
4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine
CID 162286715
N,N-bis(4-methylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine
CID 126729548
2-(3-methyl-2-phenylimidazol-4-yl)-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine
CID 59645733
2,6-bis(3,5-ditert-butylphenyl)pyridine
CID 102450802
[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol
CID 142636961
2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]benzotriazole
CID 164522408
39,40,45,46-tetrazanonacyclo[32.2.2.22,5.216,19.220,23.16,10.111,15.124,28.129,33]octatetraconta-1(36),2(48),3,5(47),6(46),7,9,11,13,15(45),16(44),17,19(43),20,22,24(40),25,27,29,31,33(39),34,37,41-tetracosaene
CID 153310633
3-(4-propoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 142669971

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 2-(4-tert-butylphenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (CID 129314749) is 2-(4-tert-butylphenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 2-(4-tert-butylphenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is CC(C)(C)c1ccc(-c2cccc(-c3cc(C(F)(F)F)[nH]n3)n2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The InChIKey is QJCCHCARSYJJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3/c1-18(2,3)13-9-7-12(8-10-13)14-5-4-6-15(23-14)16-11-17(25-24-16)19(20,21)22/h4-11H,1-3H3,(H,24,25).
What are the key properties of 2-(4-tert-butylphenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
2-(4-tert-butylphenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine has a molecular weight of 345.37 g/mol, XLogP of 5.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 129314749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).