7-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione

C19H15FN4O2 — CID 139984492

IUPAC7-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1cc2[nH]c(=O)[nH]c(=O)n2n1
InChIInChI=1S/C19H15FN4O2/c1-11(16-10-17-21-18(25)22-19(26)24(17)23-16)13-7-8-14(15(20)9-13)12-5-3-2-4-6-12/h2-11H,1H3,(H2,21,22,25,26)
InChIKeyJTHVTDLHDRGPAS-UHFFFAOYSA-N
MW350.35 g/mol
LogP2.67
Rot. Bonds3

About 7-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione

7-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione (PubChem CID 139984492) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is 7-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione.

Molecular Properties

Compound Name7-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
PubChem CID139984492
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC Name7-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1cc2[nH]c(=O)[nH]c(=O)n2n1
InChIInChI=1S/C19H15FN4O2/c1-11(16-10-17-21-18(25)22-19(26)24(17)23-16)13-7-8-14(15(20)9-13)12-5-3-2-4-6-12/h2-11H,1H3,(H2,21,22,25,26)
InChIKeyJTHVTDLHDRGPAS-UHFFFAOYSA-N
XLogP2.67
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione with MolForge

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Related Compounds

1-(4-Fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea
CID 2810695
2-p-Tolyl-6H-pyrazolo[1,5-c]quinazolin-5-one
CID 135504122
N-(2-fluorophenyl)-N'-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
CID 2815489
1-(2,4-Difluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea
CID 2810118
1-[4-(4-Fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-phenyl-urea
CID 2810694
1-(4-Fluorophenyl)-3-[2-methyl-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea
CID 2810697
1-[3-Tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-(2-fluorophenyl)urea
CID 9929096
1-(2-Benzyl-5-methylpyrazol-3-yl)-3-(3,4-difluorophenyl)urea
CID 48750778
1-Phenyl-3-[1-phenyl-3-(2-phenylpropan-2-yl)pyrazol-5-yl]urea
CID 11069316
1-(3-Fluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea
CID 70789129
1-(3,4-Difluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea
CID 70789192
1-(4-Fluorophenyl)-3-[3-(2-methylcyclopropyl)-1-phenylpyrazol-5-yl]urea
CID 70789195

Frequently Asked Questions

What is the IUPAC name of 7-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The IUPAC name of 7-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione (CID 139984492) is 7-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione.
What is the SMILES notation for 7-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The canonical SMILES for 7-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione is CC(c1ccc(-c2ccccc2)c(F)c1)c1cc2[nH]c(=O)[nH]c(=O)n2n1.
What is the InChIKey of 7-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The InChIKey is JTHVTDLHDRGPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c1-11(16-10-17-21-18(25)22-19(26)24(17)23-16)13-7-8-14(15(20)9-13)12-5-3-2-4-6-12/h2-11H,1H3,(H2,21,22,25,26).
What are the key properties of 7-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
7-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione has a molecular weight of 350.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione is sourced from PubChem (CID 139984492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).