N-(2-cyclohexylpyrazol-3-yl)-3,4-difluorobenzamide

C16H17F2N3O — CID 51192351

IUPACN-(2-cyclohexylpyrazol-3-yl)-3,4-difluorobenzamide
SMILESO=C(Nc1ccnn1C1CCCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H17F2N3O/c17-13-7-6-11(10-14(13)18)16(22)20-15-8-9-19-21(15)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,20,22)
InChIKeyYLWHMLCIOTYMTN-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.92
Rot. Bonds3

About N-(2-cyclohexylpyrazol-3-yl)-3,4-difluorobenzamide

N-(2-cyclohexylpyrazol-3-yl)-3,4-difluorobenzamide (PubChem CID 51192351) has the molecular formula C16H17F2N3O and a molecular weight of 305.33 g/mol. Its IUPAC name is N-(2-cyclohexylpyrazol-3-yl)-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-(2-cyclohexylpyrazol-3-yl)-3,4-difluorobenzamide
PubChem CID51192351
Molecular FormulaC16H17F2N3O
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC NameN-(2-cyclohexylpyrazol-3-yl)-3,4-difluorobenzamide
SMILESO=C(Nc1ccnn1C1CCCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H17F2N3O/c17-13-7-6-11(10-14(13)18)16(22)20-15-8-9-19-21(15)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,20,22)
InChIKeyYLWHMLCIOTYMTN-UHFFFAOYSA-N
XLogP3.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclohexylpyrazol-3-yl)-3-fluoro-4-methylbenzamide
CID 51231002
N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide
CID 51145829
N-(2-cyclohexylpyrazol-3-yl)benzamide
CID 51145839
N-(2-cyclohexylpyrazol-3-yl)-3-methylbenzamide
CID 51145870
3-cyano-N-(2-cyclohexylpyrazol-3-yl)benzamide
CID 51145778
2-chloro-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide
CID 51145874
2-bromo-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide
CID 51205719
N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24794158
N-(2-cyclopentylpyrazol-3-yl)-3,4,5-trimethoxybenzamide
CID 8781434
N-(2-cyclopentylpyrazol-3-yl)-3-methylsulfonylbenzamide
CID 8890675
N-(2-cyclopentylpyrazol-3-yl)-4-imidazol-1-ylbenzamide
CID 134707115
N-[5-[(2-cyclohexylpyrazol-3-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 78772109

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-3,4-difluorobenzamide?
The IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-3,4-difluorobenzamide (CID 51192351) is N-(2-cyclohexylpyrazol-3-yl)-3,4-difluorobenzamide.
What is the SMILES notation for N-(2-cyclohexylpyrazol-3-yl)-3,4-difluorobenzamide?
The canonical SMILES for N-(2-cyclohexylpyrazol-3-yl)-3,4-difluorobenzamide is O=C(Nc1ccnn1C1CCCCC1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(2-cyclohexylpyrazol-3-yl)-3,4-difluorobenzamide?
The InChIKey is YLWHMLCIOTYMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O/c17-13-7-6-11(10-14(13)18)16(22)20-15-8-9-19-21(15)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,20,22).
What are the key properties of N-(2-cyclohexylpyrazol-3-yl)-3,4-difluorobenzamide?
N-(2-cyclohexylpyrazol-3-yl)-3,4-difluorobenzamide has a molecular weight of 305.33 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylpyrazol-3-yl)-3,4-difluorobenzamide is sourced from PubChem (CID 51192351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).