N-(3,4-difluorophenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

C19H12F3N5O2 — CID 46857561

IUPACN-(3,4-difluorophenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESO=C(Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H12F3N5O2/c20-12-3-1-11(2-4-12)16-8-17-19(29)26(23-10-27(17)25-16)9-18(28)24-13-5-6-14(21)15(22)7-13/h1-8,10H,9H2,(H,24,28)
InChIKeyKXDMQQMMWJXWCU-UHFFFAOYSA-N
MW399.33 g/mol
LogP2.61
Rot. Bonds4

About N-(3,4-difluorophenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

N-(3,4-difluorophenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (PubChem CID 46857561) has the molecular formula C19H12F3N5O2 and a molecular weight of 399.33 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
PubChem CID46857561
Molecular FormulaC19H12F3N5O2
Molecular Weight399.33 g/mol
Exact Mass399.09
IUPAC NameN-(3,4-difluorophenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESO=C(Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H12F3N5O2/c20-12-3-1-11(2-4-12)16-8-17-19(29)26(23-10-27(17)25-16)9-18(28)24-13-5-6-14(21)15(22)7-13/h1-8,10H,9H2,(H,24,28)
InChIKeyKXDMQQMMWJXWCU-UHFFFAOYSA-N
XLogP2.61
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29279274
N-(5-fluoro-2-methylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 46857565
N-[(4-chlorophenyl)methyl]-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29279329
2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,5-dichlorophenyl)acetamide
CID 53331090
N-(3,5-dichlorophenyl)-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 50926136
2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-fluorophenyl)acetamide
CID 16875832
N-[4-(dimethylamino)phenyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 50926054
2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(4-ethylphenyl)acetamide
CID 29281514
2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 50926052
N-ethyl-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-phenylacetamide
CID 29279203
N-(1,3-benzodioxol-5-yl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 42100145
N-(3,4-difluorophenyl)-4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884903

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (CID 46857561) is N-(3,4-difluorophenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is O=C(Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The InChIKey is KXDMQQMMWJXWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N5O2/c20-12-3-1-11(2-4-12)16-8-17-19(29)26(23-10-27(17)25-16)9-18(28)24-13-5-6-14(21)15(22)7-13/h1-8,10H,9H2,(H,24,28).
What are the key properties of N-(3,4-difluorophenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
N-(3,4-difluorophenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide has a molecular weight of 399.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is sourced from PubChem (CID 46857561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).