N-[3-[[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]phenyl]acetamide

C19H17FN4O2 — CID 608904

IUPACN-[3-[[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(/N=C/c2c(C)[nH]n(-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C19H17FN4O2/c1-12-18(11-21-15-4-3-5-16(10-15)22-13(2)25)19(26)24(23-12)17-8-6-14(20)7-9-17/h3-11,23H,1-2H3,(H,22,25)/b21-11+
InChIKeyJOBGSNGKFJYOHS-SRZZPIQSSA-N
MW352.37 g/mol
LogP3.32
Rot. Bonds4

About N-[3-[[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]phenyl]acetamide

N-[3-[[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]phenyl]acetamide (PubChem CID 608904) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is N-[3-[[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]phenyl]acetamide
PubChem CID608904
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC NameN-[3-[[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(/N=C/c2c(C)[nH]n(-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C19H17FN4O2/c1-12-18(11-21-15-4-3-5-16(10-15)22-13(2)25)19(26)24(23-12)17-8-6-14(20)7-9-17/h3-11,23H,1-2H3,(H,22,25)/b21-11+
InChIKeyJOBGSNGKFJYOHS-SRZZPIQSSA-N
XLogP3.32
TPSA79.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(4-fluorophenyl)iminomethyl]-5-methyl-2-(4-methylphenyl)-1H-pyrazol-3-one
CID 711577
2-hydroxy-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzoic acid
CID 135699749
4-fluoro-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide
CID 135579257
4-[(3-aminophenyl)iminomethyl]-2-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-one
CID 135939499
2-(4-fluorophenyl)-5-methyl-4-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]-1H-pyrazol-3-one
CID 135628467
2-hydroxy-4-[[2-(4-iodophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]benzoic acid
CID 135699752
2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-pyrazol-3-one
CID 135635182
2-(2,4-dimethylphenyl)-4-[[3-[[2-(2,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]phenyl]iminomethyl]-5-methyl-1H-pyrazol-3-one
CID 4668808
4-[(E)-(3,5-dibromo-2-pyridinyl)iminomethyl]-2-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-one
CID 135467516
4-[(4-bromophenyl)iminomethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 3969592
5-[[2-(4-bromophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]isoindole-1,3-dione
CID 5191845
N-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidenecarbamothioyl]acetamide
CID 5235194

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]phenyl]acetamide?
The IUPAC name of N-[3-[[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]phenyl]acetamide (CID 608904) is N-[3-[[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]phenyl]acetamide?
The canonical SMILES for N-[3-[[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]phenyl]acetamide is CC(=O)Nc1cccc(/N=C/c2c(C)[nH]n(-c3ccc(F)cc3)c2=O)c1.
What is the InChIKey of N-[3-[[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]phenyl]acetamide?
The InChIKey is JOBGSNGKFJYOHS-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-12-18(11-21-15-4-3-5-16(10-15)22-13(2)25)19(26)24(23-12)17-8-6-14(20)7-9-17/h3-11,23H,1-2H3,(H,22,25)/b21-11+.
What are the key properties of N-[3-[[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]phenyl]acetamide?
N-[3-[[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]phenyl]acetamide has a molecular weight of 352.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]phenyl]acetamide is sourced from PubChem (CID 608904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).