4-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide

C17H14FN3O — CID 736295

IUPAC4-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(F)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C17H14FN3O/c1-12-11-16(21(20-12)15-5-3-2-4-6-15)19-17(22)13-7-9-14(18)10-8-13/h2-11H,1H3,(H,19,22)
InChIKeyCHQHHRQLPYTJCI-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.57
Rot. Bonds3

About 4-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide

4-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide (PubChem CID 736295) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is 4-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
PubChem CID736295
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC Name4-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(F)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C17H14FN3O/c1-12-11-16(21(20-12)15-5-3-2-4-6-15)19-17(22)13-7-9-14(18)10-8-13/h2-11H,1H3,(H,19,22)
InChIKeyCHQHHRQLPYTJCI-UHFFFAOYSA-N
XLogP3.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 4-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide (CID 736295) is 4-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2ccc(F)cc2)n(-c2ccccc2)n1.
What is the InChIKey of 4-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The InChIKey is CHQHHRQLPYTJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c1-12-11-16(21(20-12)15-5-3-2-4-6-15)19-17(22)13-7-9-14(18)10-8-13/h2-11H,1H3,(H,19,22).
What are the key properties of 4-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
4-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide has a molecular weight of 295.32 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 736295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).