4-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide

C17H14FN3O — CID 846007

IUPAC4-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide
SMILESCc1ccc(-c2cc(NC(=O)c3ccc(F)cc3)n[nH]2)cc1
InChIInChI=1S/C17H14FN3O/c1-11-2-4-12(5-3-11)15-10-16(21-20-15)19-17(22)13-6-8-14(18)9-7-13/h2-10H,1H3,(H2,19,20,21,22)
InChIKeyHVUBUUJYXUXBSG-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.78
Rot. Bonds3

About 4-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide

4-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide (PubChem CID 846007) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is 4-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide
PubChem CID846007
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC Name4-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide
SMILESCc1ccc(-c2cc(NC(=O)c3ccc(F)cc3)n[nH]2)cc1
InChIInChI=1S/C17H14FN3O/c1-11-2-4-12(5-3-11)15-10-16(21-20-15)19-17(22)13-6-8-14(18)9-7-13/h2-10H,1H3,(H2,19,20,21,22)
InChIKeyHVUBUUJYXUXBSG-UHFFFAOYSA-N
XLogP3.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide (CID 846007) is 4-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide is Cc1ccc(-c2cc(NC(=O)c3ccc(F)cc3)n[nH]2)cc1.
What is the InChIKey of 4-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide?
The InChIKey is HVUBUUJYXUXBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c1-11-2-4-12(5-3-11)15-10-16(21-20-15)19-17(22)13-6-8-14(18)9-7-13/h2-10H,1H3,(H2,19,20,21,22).
What are the key properties of 4-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide?
4-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide has a molecular weight of 295.32 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 846007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).