N-(4-fluoro-2-methylphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H13FN4O2 — CID 50926736

IUPACN-(4-fluoro-2-methylphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(=O)n2[nH]cc(C(=O)Nc3ccc(F)cc3C)c2n1
InChIInChI=1S/C15H13FN4O2/c1-8-5-10(16)3-4-12(8)19-15(22)11-7-17-20-13(21)6-9(2)18-14(11)20/h3-7,17H,1-2H3,(H,19,22)
InChIKeyJIGXJWNLZPEBNF-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.03
Rot. Bonds2

About N-(4-fluoro-2-methylphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(4-fluoro-2-methylphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 50926736) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID50926736
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC NameN-(4-fluoro-2-methylphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(=O)n2[nH]cc(C(=O)Nc3ccc(F)cc3C)c2n1
InChIInChI=1S/C15H13FN4O2/c1-8-5-10(16)3-4-12(8)19-15(22)11-7-17-20-13(21)6-9(2)18-14(11)20/h3-7,17H,1-2H3,(H,19,22)
InChIKeyJIGXJWNLZPEBNF-UHFFFAOYSA-N
XLogP2.03
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-fluorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50926730
N-(4-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46507716
N-[2-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166277923
N-(4-fluoro-2-methylphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16609443
methyl 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoate
CID 110485775
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 31456332
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 8840517
N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 35523427
2-(ethylamino)-N-(4-fluoro-2-methylphenyl)benzamide
CID 62165548
2-bromo-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 9192994
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 50926736) is N-(4-fluoro-2-methylphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(=O)n2[nH]cc(C(=O)Nc3ccc(F)cc3C)c2n1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JIGXJWNLZPEBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c1-8-5-10(16)3-4-12(8)19-15(22)11-7-17-20-13(21)6-9(2)18-14(11)20/h3-7,17H,1-2H3,(H,19,22).
What are the key properties of N-(4-fluoro-2-methylphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4-fluoro-2-methylphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 300.29 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 50926736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).