4-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide

C17H15N3O2 — CID 46231423

IUPAC4-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide
SMILESCOc1ccc(-n2cc(-c3ccc(C(N)=O)cc3)cn2)cc1
InChIInChI=1S/C17H15N3O2/c1-22-16-8-6-15(7-9-16)20-11-14(10-19-20)12-2-4-13(5-3-12)17(18)21/h2-11H,1H3,(H2,18,21)
InChIKeyFWOOTQWQKQHEHE-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.65
Rot. Bonds4

About 4-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide

4-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide (PubChem CID 46231423) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide
PubChem CID46231423
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name4-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide
SMILESCOc1ccc(-n2cc(-c3ccc(C(N)=O)cc3)cn2)cc1
InChIInChI=1S/C17H15N3O2/c1-22-16-8-6-15(7-9-16)20-11-14(10-19-20)12-2-4-13(5-3-12)17(18)21/h2-11H,1H3,(H2,18,21)
InChIKeyFWOOTQWQKQHEHE-UHFFFAOYSA-N
XLogP2.65
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-(4-methoxyphenyl)pyrazol-4-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 4-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide?
The IUPAC name of 4-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide (CID 46231423) is 4-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 4-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide is COc1ccc(-n2cc(-c3ccc(C(N)=O)cc3)cn2)cc1.
What is the InChIKey of 4-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide?
The InChIKey is FWOOTQWQKQHEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-16-8-6-15(7-9-16)20-11-14(10-19-20)12-2-4-13(5-3-12)17(18)21/h2-11H,1H3,(H2,18,21).
What are the key properties of 4-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide?
4-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide has a molecular weight of 293.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxyphenyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 46231423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).