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

C16H9Cl2FN4O — CID 139582726

IUPAC2-(dichloromethyl)-7-(4-fluorophenyl)-4-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine
SMILESFc1ccc(-c2cc3nc(C(Cl)Cl)nc(-c4ccco4)n3n2)cc1
InChIInChI=1S/C16H9Cl2FN4O/c17-14(18)15-20-13-8-11(9-3-5-10(19)6-4-9)22-23(13)16(21-15)12-2-1-7-24-12/h1-8,14H
InChIKeyZMULWKVMNSDYJB-UHFFFAOYSA-N
MW363.18 g/mol
LogP4.67
Rot. Bonds3

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

2-(dichloromethyl)-7-(4-fluorophenyl)-4-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine (PubChem CID 139582726) has the molecular formula C16H9Cl2FN4O and a molecular weight of 363.18 g/mol. Its IUPAC name is 2-(dichloromethyl)-7-(4-fluorophenyl)-4-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name2-(dichloromethyl)-7-(4-fluorophenyl)-4-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine
PubChem CID139582726
Molecular FormulaC16H9Cl2FN4O
Molecular Weight363.18 g/mol
Exact Mass362.01
IUPAC Name2-(dichloromethyl)-7-(4-fluorophenyl)-4-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine
SMILESFc1ccc(-c2cc3nc(C(Cl)Cl)nc(-c4ccco4)n3n2)cc1
InChIInChI=1S/C16H9Cl2FN4O/c17-14(18)15-20-13-8-11(9-3-5-10(19)6-4-9)22-23(13)16(21-15)12-2-1-7-24-12/h1-8,14H
InChIKeyZMULWKVMNSDYJB-UHFFFAOYSA-N
XLogP4.67
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.18
LogP ≤ 54.67
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-(4-methoxyphenyl)pyrazolo[1,5-a][1,3,5]triazine
CID 139582371
2-ethylsulfanyl-4-(furan-2-yl)-7-phenylpyrazolo[1,5-a][1,3,5]triazine
CID 71517746
2,5-bis(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2823330
2-(4-fluorophenyl)-6-(furan-2-yl)imidazo[1,2-a]pyridine
CID 15530901
7-(furan-2-yl)-2,4-dimethylpyrazolo[1,5-a][1,3,5]triazine
CID 13424971
2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2823529
7-chloro-2-(furan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 82270027
7-(4-fluorophenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 12531785
2-ethylsulfanyl-4-(furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazine
CID 102460581
N-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53175376
2-(furan-2-yl)-5-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2823019

Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethyl)-7-(4-fluorophenyl)-4-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 2-(dichloromethyl)-7-(4-fluorophenyl)-4-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine (CID 139582726) is 2-(dichloromethyl)-7-(4-fluorophenyl)-4-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 2-(dichloromethyl)-7-(4-fluorophenyl)-4-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 2-(dichloromethyl)-7-(4-fluorophenyl)-4-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine is Fc1ccc(-c2cc3nc(C(Cl)Cl)nc(-c4ccco4)n3n2)cc1.
What is the InChIKey of 2-(dichloromethyl)-7-(4-fluorophenyl)-4-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine?
The InChIKey is ZMULWKVMNSDYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2FN4O/c17-14(18)15-20-13-8-11(9-3-5-10(19)6-4-9)22-23(13)16(21-15)12-2-1-7-24-12/h1-8,14H.
What are the key properties of 2-(dichloromethyl)-7-(4-fluorophenyl)-4-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine?
2-(dichloromethyl)-7-(4-fluorophenyl)-4-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine has a molecular weight of 363.18 g/mol, XLogP of 4.67, 3 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-(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 139582726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).