N-(5-fluoro-2-methylphenyl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide

C16H14FN5O2 — CID 86919857

IUPACN-(5-fluoro-2-methylphenyl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C
InChIInChI=1S/C16H14FN5O2/c1-9-3-4-11(17)7-13(9)19-16(24)12-8-18-22(10(12)2)14-5-6-15(23)21-20-14/h3-8H,1-2H3,(H,19,24)(H,21,23)
InChIKeyZGXRUJQWYKIHSG-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.96
Rot. Bonds3

About N-(5-fluoro-2-methylphenyl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide

N-(5-fluoro-2-methylphenyl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide (PubChem CID 86919857) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
PubChem CID86919857
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC NameN-(5-fluoro-2-methylphenyl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C
InChIInChI=1S/C16H14FN5O2/c1-9-3-4-11(17)7-13(9)19-16(24)12-8-18-22(10(12)2)14-5-6-15(23)21-20-14/h3-8H,1-2H3,(H,19,24)(H,21,23)
InChIKeyZGXRUJQWYKIHSG-UHFFFAOYSA-N
XLogP1.96
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 46583862
N-[3-(dimethylcarbamoylamino)-4-methylphenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 146090293
N-(2,4-dichlorophenyl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 24671988
N-[3-(dimethylcarbamoylamino)-2-methylphenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 167868860
5-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 146087347
N-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103600396
5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-(2-phenylsulfanylphenyl)pyrazole-4-carboxamide
CID 167968258
N-[2-(methoxymethyl)phenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 47036083
N-(2,3-dimethylphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 35553361
N-[cyclopentyl-(4-fluorophenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 60554934
5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide
CID 146085815
N-benzhydryl-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 39677202

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide (CID 86919857) is N-(5-fluoro-2-methylphenyl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide is Cc1ccc(F)cc1NC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?
The InChIKey is ZGXRUJQWYKIHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c1-9-3-4-11(17)7-13(9)19-16(24)12-8-18-22(10(12)2)14-5-6-15(23)21-20-14/h3-8H,1-2H3,(H,19,24)(H,21,23).
What are the key properties of N-(5-fluoro-2-methylphenyl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?
N-(5-fluoro-2-methylphenyl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide has a molecular weight of 327.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 86919857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).