N-(1-ethylpyrazol-4-yl)-3,5-difluorobenzamide

C12H11F2N3O — CID 51078654

IUPACN-(1-ethylpyrazol-4-yl)-3,5-difluorobenzamide
SMILESCCn1cc(NC(=O)c2cc(F)cc(F)c2)cn1
InChIInChI=1S/C12H11F2N3O/c1-2-17-7-11(6-15-17)16-12(18)8-3-9(13)5-10(14)4-8/h3-7H,2H2,1H3,(H,16,18)
InChIKeyLFIJTWXSUJXZHE-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.43
Rot. Bonds3

About N-(1-ethylpyrazol-4-yl)-3,5-difluorobenzamide

N-(1-ethylpyrazol-4-yl)-3,5-difluorobenzamide (PubChem CID 51078654) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-3,5-difluorobenzamide
PubChem CID51078654
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC NameN-(1-ethylpyrazol-4-yl)-3,5-difluorobenzamide
SMILESCCn1cc(NC(=O)c2cc(F)cc(F)c2)cn1
InChIInChI=1S/C12H11F2N3O/c1-2-17-7-11(6-15-17)16-12(18)8-3-9(13)5-10(14)4-8/h3-7H,2H2,1H3,(H,16,18)
InChIKeyLFIJTWXSUJXZHE-UHFFFAOYSA-N
XLogP2.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-3,5-difluorobenzamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-3,5-difluorobenzamide (CID 51078654) is N-(1-ethylpyrazol-4-yl)-3,5-difluorobenzamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-3,5-difluorobenzamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-3,5-difluorobenzamide is CCn1cc(NC(=O)c2cc(F)cc(F)c2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-3,5-difluorobenzamide?
The InChIKey is LFIJTWXSUJXZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c1-2-17-7-11(6-15-17)16-12(18)8-3-9(13)5-10(14)4-8/h3-7H,2H2,1H3,(H,16,18).
What are the key properties of N-(1-ethylpyrazol-4-yl)-3,5-difluorobenzamide?
N-(1-ethylpyrazol-4-yl)-3,5-difluorobenzamide has a molecular weight of 251.24 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-3,5-difluorobenzamide is sourced from PubChem (CID 51078654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).