4-fluoro-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide

C19H18FN3O — CID 17052782

IUPAC4-fluoro-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
SMILESCc1cccc(Cn2nc(NC(=O)c3ccc(F)cc3)cc2C)c1
InChIInChI=1S/C19H18FN3O/c1-13-4-3-5-15(10-13)12-23-14(2)11-18(22-23)21-19(24)16-6-8-17(20)9-7-16/h3-11H,12H2,1-2H3,(H,21,22,24)
InChIKeyDVTFGEKNBCXYMD-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.94
Rot. Bonds4

About 4-fluoro-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide

4-fluoro-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 17052782) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-fluoro-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID17052782
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name4-fluoro-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
SMILESCc1cccc(Cn2nc(NC(=O)c3ccc(F)cc3)cc2C)c1
InChIInChI=1S/C19H18FN3O/c1-13-4-3-5-15(10-13)12-23-14(2)11-18(22-23)21-19(24)16-6-8-17(20)9-7-16/h3-11H,12H2,1-2H3,(H,21,22,24)
InChIKeyDVTFGEKNBCXYMD-UHFFFAOYSA-N
XLogP3.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
CID 19392877
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-fluorobenzamide
CID 19411471
3-[4-[[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471409
methyl 4-[[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]benzoate
CID 19411591
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide
CID 19411607
4-[(2,4-difluorophenoxy)methyl]-5-methyl-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 19484072
4-fluoro-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19405943
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
CID 19345828
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methylbenzamide
CID 19335243
N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-fluorophenoxy)methyl]benzamide
CID 19345604
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
CID 19337089
4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400841

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide (CID 17052782) is 4-fluoro-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide is Cc1cccc(Cn2nc(NC(=O)c3ccc(F)cc3)cc2C)c1.
What is the InChIKey of 4-fluoro-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is DVTFGEKNBCXYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-13-4-3-5-15(10-13)12-23-14(2)11-18(22-23)21-19(24)16-6-8-17(20)9-7-16/h3-11H,12H2,1-2H3,(H,21,22,24).
What are the key properties of 4-fluoro-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide?
4-fluoro-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 323.37 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-methyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 17052782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).