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

C23H19N3O2 — CID 11696353

IUPACN-[1-(3-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide
SMILESCOc1cccc(-n2nc(-c3ccccc3)cc2NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H19N3O2/c1-28-20-14-8-13-19(15-20)26-22(24-23(27)18-11-6-3-7-12-18)16-21(25-26)17-9-4-2-5-10-17/h2-16H,1H3,(H,24,27)
InChIKeyPHJRGBLZBGYLSS-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.80
Rot. Bonds5

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

N-[1-(3-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide (PubChem CID 11696353) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide
PubChem CID11696353
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC NameN-[1-(3-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide
SMILESCOc1cccc(-n2nc(-c3ccccc3)cc2NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H19N3O2/c1-28-20-14-8-13-19(15-20)26-22(24-23(27)18-11-6-3-7-12-18)16-21(25-26)17-9-4-2-5-10-17/h2-16H,1H3,(H,24,27)
InChIKeyPHJRGBLZBGYLSS-UHFFFAOYSA-N
XLogP4.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide?
The IUPAC name of N-[1-(3-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide (CID 11696353) is N-[1-(3-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide is COc1cccc(-n2nc(-c3ccccc3)cc2NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide?
The InChIKey is PHJRGBLZBGYLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-28-20-14-8-13-19(15-20)26-22(24-23(27)18-11-6-3-7-12-18)16-21(25-26)17-9-4-2-5-10-17/h2-16H,1H3,(H,24,27).
What are the key properties of N-[1-(3-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide?
N-[1-(3-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide has a molecular weight of 369.42 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide is sourced from PubChem (CID 11696353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).