N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(4-chlorophenyl)acetamide

C21H22ClN3O — CID 11046825

IUPACN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(4-chlorophenyl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc(Cl)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C21H22ClN3O/c1-21(2,3)18-14-19(25(24-18)17-7-5-4-6-8-17)23-20(26)13-15-9-11-16(22)12-10-15/h4-12,14H,13H2,1-3H3,(H,23,26)
InChIKeyUECNUHPELBKGGN-UHFFFAOYSA-N
MW367.88 g/mol
LogP5.00
Rot. Bonds4

About N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(4-chlorophenyl)acetamide

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(4-chlorophenyl)acetamide (PubChem CID 11046825) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(4-chlorophenyl)acetamide
PubChem CID11046825
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(4-chlorophenyl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc(Cl)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C21H22ClN3O/c1-21(2,3)18-14-19(25(24-18)17-7-5-4-6-8-17)23-20(26)13-15-9-11-16(22)12-10-15/h4-12,14H,13H2,1-3H3,(H,23,26)
InChIKeyUECNUHPELBKGGN-UHFFFAOYSA-N
XLogP5.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.88
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(4-chlorophenyl)acetamide 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 N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(4-chlorophenyl)acetamide (CID 11046825) is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(4-chlorophenyl)acetamide is CC(C)(C)c1cc(NC(=O)Cc2ccc(Cl)cc2)n(-c2ccccc2)n1.
What is the InChIKey of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(4-chlorophenyl)acetamide?
The InChIKey is UECNUHPELBKGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c1-21(2,3)18-14-19(25(24-18)17-7-5-4-6-8-17)23-20(26)13-15-9-11-16(22)12-10-15/h4-12,14H,13H2,1-3H3,(H,23,26).
What are the key properties of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(4-chlorophenyl)acetamide?
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(4-chlorophenyl)acetamide has a molecular weight of 367.88 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 11046825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).