2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazolo[1,5-a][1,3,5]triazine

C19H13Cl2FN4O — CID 139582371

IUPAC2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazolo[1,5-a][1,3,5]triazine
SMILESCOc1ccc(-c2nc(C(Cl)Cl)nc3cc(-c4ccc(F)cc4)nn23)cc1
InChIInChI=1S/C19H13Cl2FN4O/c1-27-14-8-4-12(5-9-14)19-24-18(17(20)21)23-16-10-15(25-26(16)19)11-2-6-13(22)7-3-11/h2-10,17H,1H3
InChIKeyFGIYNTKKRDVHGF-UHFFFAOYSA-N
MW403.24 g/mol
LogP5.08
Rot. Bonds4

About 2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazolo[1,5-a][1,3,5]triazine

2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazolo[1,5-a][1,3,5]triazine (PubChem CID 139582371) has the molecular formula C19H13Cl2FN4O and a molecular weight of 403.24 g/mol. Its IUPAC name is 2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazolo[1,5-a][1,3,5]triazine
PubChem CID139582371
Molecular FormulaC19H13Cl2FN4O
Molecular Weight403.24 g/mol
Exact Mass402.05
IUPAC Name2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazolo[1,5-a][1,3,5]triazine
SMILESCOc1ccc(-c2nc(C(Cl)Cl)nc3cc(-c4ccc(F)cc4)nn23)cc1
InChIInChI=1S/C19H13Cl2FN4O/c1-27-14-8-4-12(5-9-14)19-24-18(17(20)21)23-16-10-15(25-26(16)19)11-2-6-13(22)7-3-11/h2-10,17H,1H3
InChIKeyFGIYNTKKRDVHGF-UHFFFAOYSA-N
XLogP5.08
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.24
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazine
CID 139582373
2-(dichloromethyl)-7-(4-fluorophenyl)-4-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine
CID 139582726
7-chloro-5-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 82269989
7-(4-methoxyphenyl)-4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-2-amine
CID 11033489
N-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1441056
2-(4-fluorophenyl)-N-[(1S)-1-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl]acetamide
CID 92603541
6-(4-fluorophenyl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 854617
3-(4-fluorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 666433
methyl 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 759675
7-(4-fluorophenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 12531785
2-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-4-carbaldehyde
CID 131955075
6-(4-methoxyphenyl)-3-methylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7217443

Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazolo[1,5-a][1,3,5]triazine (CID 139582371) is 2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazolo[1,5-a][1,3,5]triazine is COc1ccc(-c2nc(C(Cl)Cl)nc3cc(-c4ccc(F)cc4)nn23)cc1.
What is the InChIKey of 2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazolo[1,5-a][1,3,5]triazine?
The InChIKey is FGIYNTKKRDVHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2FN4O/c1-27-14-8-4-12(5-9-14)19-24-18(17(20)21)23-16-10-15(25-26(16)19)11-2-6-13(22)7-3-11/h2-10,17H,1H3.
What are the key properties of 2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazolo[1,5-a][1,3,5]triazine?
2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazolo[1,5-a][1,3,5]triazine has a molecular weight of 403.24 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 139582371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).