4-tert-butyl-N-[1-(3-chlorophenyl)pyrazol-3-yl]benzamide

C20H20ClN3O — CID 46107035

IUPAC4-tert-butyl-N-[1-(3-chlorophenyl)pyrazol-3-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccn(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C20H20ClN3O/c1-20(2,3)15-9-7-14(8-10-15)19(25)22-18-11-12-24(23-18)17-6-4-5-16(21)13-17/h4-13H,1-3H3,(H,22,23,25)
InChIKeyYQOAJCDGDLVDAV-UHFFFAOYSA-N
MW353.85 g/mol
LogP5.08
Rot. Bonds3

About 4-tert-butyl-N-[1-(3-chlorophenyl)pyrazol-3-yl]benzamide

4-tert-butyl-N-[1-(3-chlorophenyl)pyrazol-3-yl]benzamide (PubChem CID 46107035) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-(3-chlorophenyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-(3-chlorophenyl)pyrazol-3-yl]benzamide
PubChem CID46107035
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name4-tert-butyl-N-[1-(3-chlorophenyl)pyrazol-3-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccn(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C20H20ClN3O/c1-20(2,3)15-9-7-14(8-10-15)19(25)22-18-11-12-24(23-18)17-6-4-5-16(21)13-17/h4-13H,1-3H3,(H,22,23,25)
InChIKeyYQOAJCDGDLVDAV-UHFFFAOYSA-N
XLogP5.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.85
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-N-[1-(3-chlorophenyl)pyrazol-3-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-tert-butyl-N-[1-(3-chlorophenyl)pyrazol-3-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[1-(3-chlorophenyl)pyrazol-3-yl]benzamide (CID 46107035) is 4-tert-butyl-N-[1-(3-chlorophenyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[1-(3-chlorophenyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[1-(3-chlorophenyl)pyrazol-3-yl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccn(-c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 4-tert-butyl-N-[1-(3-chlorophenyl)pyrazol-3-yl]benzamide?
The InChIKey is YQOAJCDGDLVDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-20(2,3)15-9-7-14(8-10-15)19(25)22-18-11-12-24(23-18)17-6-4-5-16(21)13-17/h4-13H,1-3H3,(H,22,23,25).
What are the key properties of 4-tert-butyl-N-[1-(3-chlorophenyl)pyrazol-3-yl]benzamide?
4-tert-butyl-N-[1-(3-chlorophenyl)pyrazol-3-yl]benzamide has a molecular weight of 353.85 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-(3-chlorophenyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 46107035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).