N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide

C12H11F2N3O — CID 62650484

IUPACN-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide
SMILESCc1cc(NC(=O)c2cccc(F)c2F)n(C)n1
InChIInChI=1S/C12H11F2N3O/c1-7-6-10(17(2)16-7)15-12(18)8-4-3-5-9(13)11(8)14/h3-6H,1-2H3,(H,15,18)
InChIKeyAUAYZWVSCRTNKD-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.26
Rot. Bonds2

About N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide

N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide (PubChem CID 62650484) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide
PubChem CID62650484
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide
SMILESCc1cc(NC(=O)c2cccc(F)c2F)n(C)n1
InChIInChI=1S/C12H11F2N3O/c1-7-6-10(17(2)16-7)15-12(18)8-4-3-5-9(13)11(8)14/h3-6H,1-2H3,(H,15,18)
InChIKeyAUAYZWVSCRTNKD-UHFFFAOYSA-N
XLogP2.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroxybenzamide
CID 114343847
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-6-fluorobenzamide
CID 115678351
2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 3741602
2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoate
CID 6930153
5-amino-N-(2,5-dimethylpyrazol-3-yl)-2-fluoro-3-methylbenzamide
CID 103295770
N-(2,5-dimethylpyrazol-3-yl)-2,3-dimethoxybenzamide
CID 35291192
2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 45284555
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide
CID 80974367
N-(2,5-dimethylpyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 110470794
3-amino-N-(2,5-dimethylpyrazol-3-yl)naphthalene-2-carboxamide
CID 61209522
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 60591904
N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557935

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide (CID 62650484) is N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide is Cc1cc(NC(=O)c2cccc(F)c2F)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide?
The InChIKey is AUAYZWVSCRTNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c1-7-6-10(17(2)16-7)15-12(18)8-4-3-5-9(13)11(8)14/h3-6H,1-2H3,(H,15,18).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide?
N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide has a molecular weight of 251.24 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide is sourced from PubChem (CID 62650484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).