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

C14H15F2N3O — CID 42686730

IUPACN-(3,5-diethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide
SMILESCCc1n[nH]c(CC)c1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C14H15F2N3O/c1-3-10-13(11(4-2)19-18-10)17-14(20)12-8(15)6-5-7-9(12)16/h5-7H,3-4H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyVTZZURVXULOVMI-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.07
Rot. Bonds4

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

N-(3,5-diethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide (PubChem CID 42686730) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is N-(3,5-diethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(3,5-diethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide
PubChem CID42686730
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC NameN-(3,5-diethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide
SMILESCCc1n[nH]c(CC)c1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C14H15F2N3O/c1-3-10-13(11(4-2)19-18-10)17-14(20)12-8(15)6-5-7-9(12)16/h5-7H,3-4H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyVTZZURVXULOVMI-UHFFFAOYSA-N
XLogP3.07
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide
CID 155945536
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide
CID 43546935
N-[3-ethyl-5-(2-phenylethyl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)acetamide
CID 42686439
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide
CID 42686892
N-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide
CID 2197858
N-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide
CID 4116047
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,6-difluorobenzamide
CID 91968502
N-(5-ethyl-3-thiophen-2-yl-1H-pyrazol-4-yl)-3,5-difluorobenzamide
CID 42687226
ethyl 4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylate
CID 59733474
N-(2-bromo-6-hydroxyphenyl)-2,6-difluorobenzamide
CID 135066630
2,6-difluoro-N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide
CID 42687666
3-amino-N-(2-ethyl-6-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 43337131

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide?
The IUPAC name of N-(3,5-diethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide (CID 42686730) is N-(3,5-diethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(3,5-diethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide?
The canonical SMILES for N-(3,5-diethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide is CCc1n[nH]c(CC)c1NC(=O)c1c(F)cccc1F.
What is the InChIKey of N-(3,5-diethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide?
The InChIKey is VTZZURVXULOVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-3-10-13(11(4-2)19-18-10)17-14(20)12-8(15)6-5-7-9(12)16/h5-7H,3-4H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-(3,5-diethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide?
N-(3,5-diethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide has a molecular weight of 279.29 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diethyl-1H-pyrazol-4-yl)-2,6-difluorobenzamide is sourced from PubChem (CID 42686730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).