N-[4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenyl]acetamide

C21H24ClN3O — CID 118098529

IUPACN-[4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2CC(C(C)(C)C)=NN2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H24ClN3O/c1-14(26)23-17-9-5-15(6-10-17)19-13-20(21(2,3)4)24-25(19)18-11-7-16(22)8-12-18/h5-12,19H,13H2,1-4H3,(H,23,26)
InChIKeyUWCPJYHILBRXKH-UHFFFAOYSA-N
MW369.90 g/mol
LogP5.65
Rot. Bonds3

About N-[4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenyl]acetamide

N-[4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenyl]acetamide (PubChem CID 118098529) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is N-[4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenyl]acetamide
PubChem CID118098529
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC NameN-[4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2CC(C(C)(C)C)=NN2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H24ClN3O/c1-14(26)23-17-9-5-15(6-10-17)19-13-20(21(2,3)4)24-25(19)18-11-7-16(22)8-12-18/h5-12,19H,13H2,1-4H3,(H,23,26)
InChIKeyUWCPJYHILBRXKH-UHFFFAOYSA-N
XLogP5.65
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.90
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenyl]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-[4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenyl]acetamide (CID 118098529) is N-[4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2CC(C(C)(C)C)=NN2c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenyl]acetamide?
The InChIKey is UWCPJYHILBRXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-14(26)23-17-9-5-15(6-10-17)19-13-20(21(2,3)4)24-25(19)18-11-7-16(22)8-12-18/h5-12,19H,13H2,1-4H3,(H,23,26).
What are the key properties of N-[4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenyl]acetamide?
N-[4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenyl]acetamide has a molecular weight of 369.90 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-tert-butyl-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 118098529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).