3-cyano-5-fluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)benzamide

C18H13FN4O — CID 156583771

IUPAC3-cyano-5-fluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)benzamide
SMILESCc1c(NC(=O)c2cc(F)cc(C#N)c2)n[nH]c1-c1ccccc1
InChIInChI=1S/C18H13FN4O/c1-11-16(13-5-3-2-4-6-13)22-23-17(11)21-18(24)14-7-12(10-20)8-15(19)9-14/h2-9H,1H3,(H2,21,22,23,24)
InChIKeyMIZRNNGYMSYKAU-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.65
Rot. Bonds3

About 3-cyano-5-fluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)benzamide

3-cyano-5-fluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)benzamide (PubChem CID 156583771) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 3-cyano-5-fluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-cyano-5-fluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)benzamide
PubChem CID156583771
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name3-cyano-5-fluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)benzamide
SMILESCc1c(NC(=O)c2cc(F)cc(C#N)c2)n[nH]c1-c1ccccc1
InChIInChI=1S/C18H13FN4O/c1-11-16(13-5-3-2-4-6-13)22-23-17(11)21-18(24)14-7-12(10-20)8-15(19)9-14/h2-9H,1H3,(H2,21,22,23,24)
InChIKeyMIZRNNGYMSYKAU-UHFFFAOYSA-N
XLogP3.65
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-cyano-5-fluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyano-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113227579
N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)-1H-indole-2-carboxamide
CID 166403574
N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)-4-phenylpyrimidine-2-carboxamide
CID 166432284
N-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]-3-sulfanylbenzamide
CID 70826272
N-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-3,5-difluorobenzamide
CID 53197884
4-N-[4-[(3-cyano-5-fluorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 123304077
2-(4-cyanophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
CID 51102446
3-(4-cyanophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
CID 169305313
3-(4-cyano-3-fluorophenyl)-2-fluoro-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
CID 169305375
6-methyl-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 162637073
N-[5-[(3-cyanophenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide
CID 164616696
3,5-dimethoxy-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]benzamide
CID 53197830

Frequently Asked Questions

What is the IUPAC name of 3-cyano-5-fluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 3-cyano-5-fluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)benzamide (CID 156583771) is 3-cyano-5-fluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 3-cyano-5-fluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 3-cyano-5-fluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)benzamide is Cc1c(NC(=O)c2cc(F)cc(C#N)c2)n[nH]c1-c1ccccc1.
What is the InChIKey of 3-cyano-5-fluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is MIZRNNGYMSYKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c1-11-16(13-5-3-2-4-6-13)22-23-17(11)21-18(24)14-7-12(10-20)8-15(19)9-14/h2-9H,1H3,(H2,21,22,23,24).
What are the key properties of 3-cyano-5-fluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)benzamide?
3-cyano-5-fluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 320.33 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-5-fluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 156583771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).