N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide

C19H18FN3O — CID 60591904

IUPACN-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
SMILESCc1cc(C)cc(-n2nc(C)cc2NC(=O)c2ccccc2F)c1
InChIInChI=1S/C19H18FN3O/c1-12-8-13(2)10-15(9-12)23-18(11-14(3)22-23)21-19(24)16-6-4-5-7-17(16)20/h4-11H,1-3H3,(H,21,24)
InChIKeyWQGUEUDDDAPFSE-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.19
Rot. Bonds3

About N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide

N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide (PubChem CID 60591904) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
PubChem CID60591904
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC NameN-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
SMILESCc1cc(C)cc(-n2nc(C)cc2NC(=O)c2ccccc2F)c1
InChIInChI=1S/C19H18FN3O/c1-12-8-13(2)10-15(9-12)23-18(11-14(3)22-23)21-19(24)16-6-4-5-7-17(16)20/h4-11H,1-3H3,(H,21,24)
InChIKeyWQGUEUDDDAPFSE-UHFFFAOYSA-N
XLogP4.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]benzamide
CID 55377247
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluoro-2-methoxybenzamide
CID 55520394
2-chloro-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-fluorobenzamide
CID 55377398
2-bromo-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide
CID 55481146
2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135752929
5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 55481154
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 75524900
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
CID 75514166
N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide
CID 112810243
N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-fluorobenzamide
CID 39853458
2-methoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 12735786
N-[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 3484830

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide?
The IUPAC name of N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide (CID 60591904) is N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide is Cc1cc(C)cc(-n2nc(C)cc2NC(=O)c2ccccc2F)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide?
The InChIKey is WQGUEUDDDAPFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-12-8-13(2)10-15(9-12)23-18(11-14(3)22-23)21-19(24)16-6-4-5-7-17(16)20/h4-11H,1-3H3,(H,21,24).
What are the key properties of N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide?
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide has a molecular weight of 323.37 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide is sourced from PubChem (CID 60591904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).