5-[(4-fluorophenyl)methyl]-2-methyl-7-phenyl-1H-pyrazolo[1,5-d][1,2,4]triazine

C19H17FN4 — CID 68619131

IUPAC5-[(4-fluorophenyl)methyl]-2-methyl-7-phenyl-1H-pyrazolo[1,5-d][1,2,4]triazine
SMILESCC1=CC2=CN(Cc3ccc(F)cc3)N=C(c3ccccc3)N2N1
InChIInChI=1S/C19H17FN4/c1-14-11-18-13-23(12-15-7-9-17(20)10-8-15)22-19(24(18)21-14)16-5-3-2-4-6-16/h2-11,13,21H,12H2,1H3
InChIKeyPGZSSBIFKQVTHT-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.57
Rot. Bonds3

About 5-[(4-fluorophenyl)methyl]-2-methyl-7-phenyl-1H-pyrazolo[1,5-d][1,2,4]triazine

5-[(4-fluorophenyl)methyl]-2-methyl-7-phenyl-1H-pyrazolo[1,5-d][1,2,4]triazine (PubChem CID 68619131) has the molecular formula C19H17FN4 and a molecular weight of 320.37 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-2-methyl-7-phenyl-1H-pyrazolo[1,5-d][1,2,4]triazine.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-2-methyl-7-phenyl-1H-pyrazolo[1,5-d][1,2,4]triazine
PubChem CID68619131
Molecular FormulaC19H17FN4
Molecular Weight320.37 g/mol
Exact Mass320.14
IUPAC Name5-[(4-fluorophenyl)methyl]-2-methyl-7-phenyl-1H-pyrazolo[1,5-d][1,2,4]triazine
SMILESCC1=CC2=CN(Cc3ccc(F)cc3)N=C(c3ccccc3)N2N1
InChIInChI=1S/C19H17FN4/c1-14-11-18-13-23(12-15-7-9-17(20)10-8-15)22-19(24(18)21-14)16-5-3-2-4-6-16/h2-11,13,21H,12H2,1H3
InChIKeyPGZSSBIFKQVTHT-UHFFFAOYSA-N
XLogP3.57
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-2-methyl-7-phenyl-1H-pyrazolo[1,5-d][1,2,4]triazine?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-2-methyl-7-phenyl-1H-pyrazolo[1,5-d][1,2,4]triazine (CID 68619131) is 5-[(4-fluorophenyl)methyl]-2-methyl-7-phenyl-1H-pyrazolo[1,5-d][1,2,4]triazine.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-2-methyl-7-phenyl-1H-pyrazolo[1,5-d][1,2,4]triazine?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-2-methyl-7-phenyl-1H-pyrazolo[1,5-d][1,2,4]triazine is CC1=CC2=CN(Cc3ccc(F)cc3)N=C(c3ccccc3)N2N1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-2-methyl-7-phenyl-1H-pyrazolo[1,5-d][1,2,4]triazine?
The InChIKey is PGZSSBIFKQVTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4/c1-14-11-18-13-23(12-15-7-9-17(20)10-8-15)22-19(24(18)21-14)16-5-3-2-4-6-16/h2-11,13,21H,12H2,1H3.
What are the key properties of 5-[(4-fluorophenyl)methyl]-2-methyl-7-phenyl-1H-pyrazolo[1,5-d][1,2,4]triazine?
5-[(4-fluorophenyl)methyl]-2-methyl-7-phenyl-1H-pyrazolo[1,5-d][1,2,4]triazine has a molecular weight of 320.37 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-2-methyl-7-phenyl-1H-pyrazolo[1,5-d][1,2,4]triazine is sourced from PubChem (CID 68619131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).