2-bromo-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide

C16H17BrFN3O — CID 51205719

IUPAC2-bromo-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide
SMILESO=C(Nc1ccnn1C1CCCCC1)c1ccc(F)cc1Br
InChIInChI=1S/C16H17BrFN3O/c17-14-10-11(18)6-7-13(14)16(22)20-15-8-9-19-21(15)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,20,22)
InChIKeyOWOPEWMHTQKMAN-UHFFFAOYSA-N
MW366.23 g/mol
LogP4.54
Rot. Bonds3

About 2-bromo-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide

2-bromo-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide (PubChem CID 51205719) has the molecular formula C16H17BrFN3O and a molecular weight of 366.23 g/mol. Its IUPAC name is 2-bromo-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide
PubChem CID51205719
Molecular FormulaC16H17BrFN3O
Molecular Weight366.23 g/mol
Exact Mass365.05
IUPAC Name2-bromo-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide
SMILESO=C(Nc1ccnn1C1CCCCC1)c1ccc(F)cc1Br
InChIInChI=1S/C16H17BrFN3O/c17-14-10-11(18)6-7-13(14)16(22)20-15-8-9-19-21(15)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,20,22)
InChIKeyOWOPEWMHTQKMAN-UHFFFAOYSA-N
XLogP4.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide (CID 51205719) is 2-bromo-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide is O=C(Nc1ccnn1C1CCCCC1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide?
The InChIKey is OWOPEWMHTQKMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN3O/c17-14-10-11(18)6-7-13(14)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 2-bromo-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide?
2-bromo-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide has a molecular weight of 366.23 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide is sourced from PubChem (CID 51205719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).