N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide

C13H13F2N3O — CID 155945536

IUPACN-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide
SMILESCCc1[nH]nc(NC(=O)c2c(F)cccc2F)c1C
InChIInChI=1S/C13H13F2N3O/c1-3-10-7(2)12(18-17-10)16-13(19)11-8(14)5-4-6-9(11)15/h4-6H,3H2,1-2H3,(H2,16,17,18,19)
InChIKeyBYCSYQGJISMKKR-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.81
Rot. Bonds3

About N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide

N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide (PubChem CID 155945536) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide
PubChem CID155945536
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC NameN-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide
SMILESCCc1[nH]nc(NC(=O)c2c(F)cccc2F)c1C
InChIInChI=1S/C13H13F2N3O/c1-3-10-7(2)12(18-17-10)16-13(19)11-8(14)5-4-6-9(11)15/h4-6H,3H2,1-2H3,(H2,16,17,18,19)
InChIKeyBYCSYQGJISMKKR-UHFFFAOYSA-N
XLogP2.81
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-diethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide
CID 42686730
2,6-difluoro-N-[6-(3-methylphenyl)-1H-indazol-3-yl]benzamide
CID 69063668
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide
CID 43546935
2-chloro-6-fluoro-N-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 156585238
5-bromo-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-methylfuran-2-carboxamide
CID 154739161
1-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethyl)urea
CID 56786023
N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,7-naphthyridine-3-carboxamide
CID 155944144
N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,6-difluorobenzamide
CID 69061980
4-cyclopropyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 127679522
1-benzyl-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)cyclobutane-1-carboxamide
CID 138995921
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3,4,5,6-pentafluorobenzamide
CID 104620121
ethyl 4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylate
CID 59733474

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide?
The IUPAC name of N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide (CID 155945536) is N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide?
The canonical SMILES for N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide is CCc1[nH]nc(NC(=O)c2c(F)cccc2F)c1C.
What is the InChIKey of N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide?
The InChIKey is BYCSYQGJISMKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-3-10-7(2)12(18-17-10)16-13(19)11-8(14)5-4-6-9(11)15/h4-6H,3H2,1-2H3,(H2,16,17,18,19).
What are the key properties of N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide?
N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide has a molecular weight of 265.26 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide is sourced from PubChem (CID 155945536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).