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

C19H13Cl2FN4 — CID 139582373

IUPAC2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazine
SMILESCc1ccc(-c2nc(C(Cl)Cl)nc3cc(-c4ccc(F)cc4)nn23)cc1
InChIInChI=1S/C19H13Cl2FN4/c1-11-2-4-13(5-3-11)19-24-18(17(20)21)23-16-10-15(25-26(16)19)12-6-8-14(22)9-7-12/h2-10,17H,1H3
InChIKeyUGRVQIKIYSSWJP-UHFFFAOYSA-N
MW387.25 g/mol
LogP5.38
Rot. Bonds3

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

2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazine (PubChem CID 139582373) has the molecular formula C19H13Cl2FN4 and a molecular weight of 387.25 g/mol. Its IUPAC name is 2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazine
PubChem CID139582373
Molecular FormulaC19H13Cl2FN4
Molecular Weight387.25 g/mol
Exact Mass386.05
IUPAC Name2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazine
SMILESCc1ccc(-c2nc(C(Cl)Cl)nc3cc(-c4ccc(F)cc4)nn23)cc1
InChIInChI=1S/C19H13Cl2FN4/c1-11-2-4-13(5-3-11)19-24-18(17(20)21)23-16-10-15(25-26(16)19)12-6-8-14(22)9-7-12/h2-10,17H,1H3
InChIKeyUGRVQIKIYSSWJP-UHFFFAOYSA-N
XLogP5.38
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.25
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methoxyphenyl)pyrazolo[1,5-a][1,3,5]triazine
CID 139582371
2-(dichloromethyl)-7-(4-fluorophenyl)-4-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine
CID 139582726
5-(dichloromethyl)-7-(4-methylphenyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine
CID 51064862
7-(4-fluorophenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 12531785
6-chloro-5,7-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 779831
7-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271539
3-bromo-6-(4-fluorophenyl)-2-methylimidazo[1,2-b]pyridazine
CID 116854941
7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82092183
5-(4-fluorophenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19451781
7-chloro-2-(4-methylphenyl)-5-propylpyrazolo[1,5-a]pyrimidine
CID 82269952
2-ethyl-6-(4-fluorophenyl)-4-methylpyridine
CID 160753995
2-(4-fluorophenyl)-6-methylquinoline
CID 13224215

Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazine (CID 139582373) is 2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazine is Cc1ccc(-c2nc(C(Cl)Cl)nc3cc(-c4ccc(F)cc4)nn23)cc1.
What is the InChIKey of 2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazine?
The InChIKey is UGRVQIKIYSSWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2FN4/c1-11-2-4-13(5-3-11)19-24-18(17(20)21)23-16-10-15(25-26(16)19)12-6-8-14(22)9-7-12/h2-10,17H,1H3.
What are the key properties of 2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazine?
2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazine has a molecular weight of 387.25 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 139582373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).