2-fluoro-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide

C13H14FN3O — CID 82882306

IUPAC2-fluoro-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCc1ccc(F)c(C(=O)NCc2ccn(C)n2)c1
InChIInChI=1S/C13H14FN3O/c1-9-3-4-12(14)11(7-9)13(18)15-8-10-5-6-17(2)16-10/h3-7H,8H2,1-2H3,(H,15,18)
InChIKeyRCZUXLLUCIKWJO-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.80
Rot. Bonds3

About 2-fluoro-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide

2-fluoro-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 82882306) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
PubChem CID82882306
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name2-fluoro-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCc1ccc(F)c(C(=O)NCc2ccn(C)n2)c1
InChIInChI=1S/C13H14FN3O/c1-9-3-4-12(14)11(7-9)13(18)15-8-10-5-6-17(2)16-10/h3-7H,8H2,1-2H3,(H,15,18)
InChIKeyRCZUXLLUCIKWJO-UHFFFAOYSA-N
XLogP1.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82872826
2-bromo-5-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82872980
4-hydroxy-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113343584
5-amino-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882259
3-fluoro-2-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82875128
3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330914
3-bromo-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113460821
2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
CID 62510380
N-[(1-methylpyrazol-3-yl)methyl]-2-(2,4,6-trimethylphenyl)acetamide
CID 122159302
5-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-carboxamide
CID 82873476
2-fluoro-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 79777537
2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329144

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide (CID 82882306) is 2-fluoro-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide is Cc1ccc(F)c(C(=O)NCc2ccn(C)n2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is RCZUXLLUCIKWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-9-3-4-12(14)11(7-9)13(18)15-8-10-5-6-17(2)16-10/h3-7H,8H2,1-2H3,(H,15,18).
What are the key properties of 2-fluoro-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
2-fluoro-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 247.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 82882306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).