N-[2-fluoro-5-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylacetamide

C15H12FN5O3 — CID 24805139

IUPACN-[2-fluoro-5-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cc(-c2ccnc3c([N+](=O)[O-])cnn23)ccc1F
InChIInChI=1S/C15H12FN5O3/c1-9(22)19(2)13-7-10(3-4-11(13)16)12-5-6-17-15-14(21(23)24)8-18-20(12)15/h3-8H,1-2H3
InChIKeyTZVOGZXCZOYXSH-UHFFFAOYSA-N
MW329.29 g/mol
LogP2.43
Rot. Bonds3

About N-[2-fluoro-5-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylacetamide

N-[2-fluoro-5-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylacetamide (PubChem CID 24805139) has the molecular formula C15H12FN5O3 and a molecular weight of 329.29 g/mol. Its IUPAC name is N-[2-fluoro-5-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylacetamide
PubChem CID24805139
Molecular FormulaC15H12FN5O3
Molecular Weight329.29 g/mol
Exact Mass329.09
IUPAC NameN-[2-fluoro-5-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cc(-c2ccnc3c([N+](=O)[O-])cnn23)ccc1F
InChIInChI=1S/C15H12FN5O3/c1-9(22)19(2)13-7-10(3-4-11(13)16)12-5-6-17-15-14(21(23)24)8-18-20(12)15/h3-8H,1-2H3
InChIKeyTZVOGZXCZOYXSH-UHFFFAOYSA-N
XLogP2.43
TPSA93.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)-2-fluorophenyl]-N-methylacetamide
CID 24805140
7-(4-fluoro-3-nitrophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine
CID 66498127
N-butyl-N-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethanesulfonamide
CID 11463818
4-methoxy-3-[3-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide
CID 142774882
7-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine
CID 66498780
7-(4-methylphenyl)-N-(2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440483
N-(2,6-difluoro-3-nitrophenyl)-N-methylacetamide
CID 134413313
N-methyl-N-(2-nitro-4-phenylphenyl)acetamide
CID 70088982
N-(4-bromo-2-fluorophenyl)-7-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17022131
N-methyl-N-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
CID 10383110
N-(3,4-difluoro-2-methyl-5-nitrophenyl)-N-methylacetamide
CID 164532233
7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 11149552

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylacetamide?
The IUPAC name of N-[2-fluoro-5-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylacetamide (CID 24805139) is N-[2-fluoro-5-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylacetamide.
What is the SMILES notation for N-[2-fluoro-5-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylacetamide?
The canonical SMILES for N-[2-fluoro-5-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylacetamide is CC(=O)N(C)c1cc(-c2ccnc3c([N+](=O)[O-])cnn23)ccc1F.
What is the InChIKey of N-[2-fluoro-5-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylacetamide?
The InChIKey is TZVOGZXCZOYXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O3/c1-9(22)19(2)13-7-10(3-4-11(13)16)12-5-6-17-15-14(21(23)24)8-18-20(12)15/h3-8H,1-2H3.
What are the key properties of N-[2-fluoro-5-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylacetamide?
N-[2-fluoro-5-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylacetamide has a molecular weight of 329.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(3-nitropyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylacetamide is sourced from PubChem (CID 24805139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).