2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]-N-propan-2-ylacetamide

C16H16FN5O2 — CID 56685776

IUPAC2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1n[nH]c(=O)c2cc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C16H16FN5O2/c1-9(2)18-15(23)8-14-19-20-16(24)13-7-12(21-22(13)14)10-3-5-11(17)6-4-10/h3-7,9H,8H2,1-2H3,(H,18,23)(H,20,24)
InChIKeySKBVTOHTTNCFEQ-UHFFFAOYSA-N
MW329.34 g/mol
LogP1.29
Rot. Bonds4

About 2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]-N-propan-2-ylacetamide

2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]-N-propan-2-ylacetamide (PubChem CID 56685776) has the molecular formula C16H16FN5O2 and a molecular weight of 329.34 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]-N-propan-2-ylacetamide
PubChem CID56685776
Molecular FormulaC16H16FN5O2
Molecular Weight329.34 g/mol
Exact Mass329.13
IUPAC Name2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1n[nH]c(=O)c2cc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C16H16FN5O2/c1-9(2)18-15(23)8-14-19-20-16(24)13-7-12(21-22(13)14)10-3-5-11(17)6-4-10/h3-7,9H,8H2,1-2H3,(H,18,23)(H,20,24)
InChIKeySKBVTOHTTNCFEQ-UHFFFAOYSA-N
XLogP1.29
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide
CID 56685778
N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide
CID 56685675
N-(3,5-dimethylphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide
CID 56685662
2-[[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 50771608
2-[[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]-N-phenylacetamide
CID 50771589
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylbutanamide
CID 16884867
N-(3,4-dimethylphenyl)-2-[[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]acetamide
CID 50771784
N-(4-chlorophenyl)-2-[[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]acetamide
CID 50771626
2-[[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]acetonitrile
CID 50786684
N-(3-fluoro-4-methoxyphenyl)-2-(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide
CID 56685863
N-(4-ethylphenyl)-2-[[4-oxo-2-(4-propan-2-ylphenyl)-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]acetamide
CID 50771769
2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-N-propan-2-ylacetamide
CID 24889659

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]-N-propan-2-ylacetamide (CID 56685776) is 2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cc1n[nH]c(=O)c2cc(-c3ccc(F)cc3)nn12.
What is the InChIKey of 2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]-N-propan-2-ylacetamide?
The InChIKey is SKBVTOHTTNCFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2/c1-9(2)18-15(23)8-14-19-20-16(24)13-7-12(21-22(13)14)10-3-5-11(17)6-4-10/h3-7,9H,8H2,1-2H3,(H,18,23)(H,20,24).
What are the key properties of 2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]-N-propan-2-ylacetamide?
2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]-N-propan-2-ylacetamide has a molecular weight of 329.34 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 56685776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).