4-methoxy-N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]benzamide

C23H20N4O2 — CID 122183745

IUPAC4-methoxy-N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)c(-n3cc(-c4cccnc4)cn3)c2)cc1
InChIInChI=1S/C23H20N4O2/c1-16-5-8-20(26-23(28)17-6-9-21(29-2)10-7-17)12-22(16)27-15-19(14-25-27)18-4-3-11-24-13-18/h3-15H,1-2H3,(H,26,28)
InChIKeyQOHRZEWGDUREJV-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.50
Rot. Bonds5

About 4-methoxy-N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]benzamide

4-methoxy-N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]benzamide (PubChem CID 122183745) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-methoxy-N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]benzamide
PubChem CID122183745
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name4-methoxy-N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)c(-n3cc(-c4cccnc4)cn3)c2)cc1
InChIInChI=1S/C23H20N4O2/c1-16-5-8-20(26-23(28)17-6-9-21(29-2)10-7-17)12-22(16)27-15-19(14-25-27)18-4-3-11-24-13-18/h3-15H,1-2H3,(H,26,28)
InChIKeyQOHRZEWGDUREJV-UHFFFAOYSA-N
XLogP4.50
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]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-methoxy-N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]benzamide (CID 122183745) is 4-methoxy-N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(C)c(-n3cc(-c4cccnc4)cn3)c2)cc1.
What is the InChIKey of 4-methoxy-N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]benzamide?
The InChIKey is QOHRZEWGDUREJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-16-5-8-20(26-23(28)17-6-9-21(29-2)10-7-17)12-22(16)27-15-19(14-25-27)18-4-3-11-24-13-18/h3-15H,1-2H3,(H,26,28).
What are the key properties of 4-methoxy-N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]benzamide?
4-methoxy-N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]benzamide has a molecular weight of 384.44 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-methyl-3-(4-pyridin-3-ylpyrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 122183745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).