3-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide

C23H17ClFN3O2 — CID 46088042

IUPAC3-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide
SMILESCOc1ccc(-c2cc(NC(=O)c3ccc(F)c(Cl)c3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H17ClFN3O2/c1-30-18-10-7-15(8-11-18)21-14-22(28(27-21)17-5-3-2-4-6-17)26-23(29)16-9-12-20(25)19(24)13-16/h2-14H,1H3,(H,26,29)
InChIKeyVDBCEYQQZWMXPZ-UHFFFAOYSA-N
MW421.86 g/mol
LogP5.59
Rot. Bonds5

About 3-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide

3-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide (PubChem CID 46088042) has the molecular formula C23H17ClFN3O2 and a molecular weight of 421.86 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide
PubChem CID46088042
Molecular FormulaC23H17ClFN3O2
Molecular Weight421.86 g/mol
Exact Mass421.10
IUPAC Name3-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide
SMILESCOc1ccc(-c2cc(NC(=O)c3ccc(F)c(Cl)c3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H17ClFN3O2/c1-30-18-10-7-15(8-11-18)21-14-22(28(27-21)17-5-3-2-4-6-17)26-23(29)16-9-12-20(25)19(24)13-16/h2-14H,1H3,(H,26,29)
InChIKeyVDBCEYQQZWMXPZ-UHFFFAOYSA-N
XLogP5.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.86
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide (CID 46088042) is 3-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide is COc1ccc(-c2cc(NC(=O)c3ccc(F)c(Cl)c3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide?
The InChIKey is VDBCEYQQZWMXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O2/c1-30-18-10-7-15(8-11-18)21-14-22(28(27-21)17-5-3-2-4-6-17)26-23(29)16-9-12-20(25)19(24)13-16/h2-14H,1H3,(H,26,29).
What are the key properties of 3-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide?
3-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide has a molecular weight of 421.86 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide is sourced from PubChem (CID 46088042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).