N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide

C13H14FN3O — CID 112668766

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide
SMILESCc1nn(C)cc1CNC(=O)c1ccccc1F
InChIInChI=1S/C13H14FN3O/c1-9-10(8-17(2)16-9)7-15-13(18)11-5-3-4-6-12(11)14/h3-6,8H,7H2,1-2H3,(H,15,18)
InChIKeyXIJYOELRIUAIRI-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.80
Rot. Bonds3

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide (PubChem CID 112668766) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide
PubChem CID112668766
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide
SMILESCc1nn(C)cc1CNC(=O)c1ccccc1F
InChIInChI=1S/C13H14FN3O/c1-9-10(8-17(2)16-9)7-15-13(18)11-5-3-4-6-12(11)14/h3-6,8H,7H2,1-2H3,(H,15,18)
InChIKeyXIJYOELRIUAIRI-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-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]benzoic acid
CID 115989224
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide
CID 19288564
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-hydroxyprop-1-ynyl)benzamide
CID 115991498
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 19288393
N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110852445
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide
CID 112670100
N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide
CID 39854004
2-amino-4-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
CID 112668155
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-fluoro-2-nitrobenzamide
CID 115989525
2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
CID 112668170
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-(methylamino)benzamide
CID 115991700
2-amino-5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
CID 112670930

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide (CID 112668766) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide is Cc1nn(C)cc1CNC(=O)c1ccccc1F.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide?
The InChIKey is XIJYOELRIUAIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-9-10(8-17(2)16-9)7-15-13(18)11-5-3-4-6-12(11)14/h3-6,8H,7H2,1-2H3,(H,15,18).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide 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 N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 112668766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).