2-chloro-5-[[3-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]pyridine

C19H14ClF4N3 — CID 123736713

IUPAC2-chloro-5-[[3-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]pyridine
SMILESCc1cc(C(F)=Cc2ccc(C(F)(F)F)cc2)nn1Cc1ccc(Cl)nc1
InChIInChI=1S/C19H14ClF4N3/c1-12-8-17(26-27(12)11-14-4-7-18(20)25-10-14)16(21)9-13-2-5-15(6-3-13)19(22,23)24/h2-10H,11H2,1H3
InChIKeyOXOYNEKCDDWXSH-UHFFFAOYSA-N
MW395.79 g/mol
LogP5.77
Rot. Bonds4

About 2-chloro-5-[[3-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]pyridine

2-chloro-5-[[3-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]pyridine (PubChem CID 123736713) has the molecular formula C19H14ClF4N3 and a molecular weight of 395.79 g/mol. Its IUPAC name is 2-chloro-5-[[3-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[[3-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]pyridine
PubChem CID123736713
Molecular FormulaC19H14ClF4N3
Molecular Weight395.79 g/mol
Exact Mass395.08
IUPAC Name2-chloro-5-[[3-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]pyridine
SMILESCc1cc(C(F)=Cc2ccc(C(F)(F)F)cc2)nn1Cc1ccc(Cl)nc1
InChIInChI=1S/C19H14ClF4N3/c1-12-8-17(26-27(12)11-14-4-7-18(20)25-10-14)16(21)9-13-2-5-15(6-3-13)19(22,23)24/h2-10H,11H2,1H3
InChIKeyOXOYNEKCDDWXSH-UHFFFAOYSA-N
XLogP5.77
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.79
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[[3-[1-fluoro-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]pyridine
CID 123894650
5-[[3-[1-fluoro-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]-N-methylpyridin-2-amine
CID 78043743
5-[[3-[(Z)-1-fluoro-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]-N-methylpyridin-2-amine
CID 71227421
1-benzyl-3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazole
CID 78041622
5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxylic acid
CID 162444700
2-[3-[[3-[1-fluoro-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]propan-2-ol
CID 78043742
5-[[3-[(Z)-2-(4-cyclohexylphenyl)-1-fluoroethenyl]-5-methylpyrazol-1-yl]methyl]-N-methylpyridin-2-amine
CID 71226937
[3-[[3-[1-fluoro-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 78043720
1-[3-[[3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]azetidin-3-ol
CID 78041627
1-[3-[[3-[1-fluoro-2-[3-fluoro-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]cyclopropan-1-ol
CID 78043730
N-[[4-[(Z)-2-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-2-fluoroethenyl]phenyl]methyl]-N-propan-2-ylpropan-2-amine
CID 71226897
(4-cyclopropylpiperazin-1-yl)-[3-[[3-[1-fluoro-2-[4-(trifluoromethoxy)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]phenyl]methanone
CID 78043728

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[3-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]pyridine?
The IUPAC name of 2-chloro-5-[[3-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]pyridine (CID 123736713) is 2-chloro-5-[[3-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]pyridine.
What is the SMILES notation for 2-chloro-5-[[3-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]pyridine?
The canonical SMILES for 2-chloro-5-[[3-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]pyridine is Cc1cc(C(F)=Cc2ccc(C(F)(F)F)cc2)nn1Cc1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-[[3-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]pyridine?
The InChIKey is OXOYNEKCDDWXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF4N3/c1-12-8-17(26-27(12)11-14-4-7-18(20)25-10-14)16(21)9-13-2-5-15(6-3-13)19(22,23)24/h2-10H,11H2,1H3.
What are the key properties of 2-chloro-5-[[3-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]pyridine?
2-chloro-5-[[3-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]pyridine has a molecular weight of 395.79 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[3-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethenyl]-5-methylpyrazol-1-yl]methyl]pyridine is sourced from PubChem (CID 123736713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).