N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[(2,6-dimethylphenyl)carbamoyl-(2-phenylethyl)amino]acetamide

C32H36ClN5O2 — CID 5189598

IUPACN-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[(2,6-dimethylphenyl)carbamoyl-(2-phenylethyl)amino]acetamide
SMILESCc1cccc(C)c1NC(=O)N(CCc1ccccc1)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1Cl
InChIInChI=1S/C32H36ClN5O2/c1-22-12-11-13-23(2)30(22)35-31(40)37(19-18-24-14-7-6-8-15-24)21-29(39)34-28-20-27(32(3,4)5)36-38(28)26-17-10-9-16-25(26)33/h6-17,20H,18-19,21H2,1-5H3,(H,34,39)(H,35,40)
InChIKeyURAMGQFZCIJUSC-UHFFFAOYSA-N
MW558.13 g/mol
LogP7.16
Rot. Bonds8

About N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[(2,6-dimethylphenyl)carbamoyl-(2-phenylethyl)amino]acetamide

N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[(2,6-dimethylphenyl)carbamoyl-(2-phenylethyl)amino]acetamide (PubChem CID 5189598) has the molecular formula C32H36ClN5O2 and a molecular weight of 558.13 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[(2,6-dimethylphenyl)carbamoyl-(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[(2,6-dimethylphenyl)carbamoyl-(2-phenylethyl)amino]acetamide
PubChem CID5189598
Molecular FormulaC32H36ClN5O2
Molecular Weight558.13 g/mol
Exact Mass557.26
IUPAC NameN-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[(2,6-dimethylphenyl)carbamoyl-(2-phenylethyl)amino]acetamide
SMILESCc1cccc(C)c1NC(=O)N(CCc1ccccc1)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1Cl
InChIInChI=1S/C32H36ClN5O2/c1-22-12-11-13-23(2)30(22)35-31(40)37(19-18-24-14-7-6-8-15-24)21-29(39)34-28-20-27(32(3,4)5)36-38(28)26-17-10-9-16-25(26)33/h6-17,20H,18-19,21H2,1-5H3,(H,34,39)(H,35,40)
InChIKeyURAMGQFZCIJUSC-UHFFFAOYSA-N
XLogP7.16
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.13
LogP ≤ 57.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[cyclohexylcarbamoyl(2-phenylethyl)amino]acetamide
CID 4531396
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[(2,6-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 4266555
2-[benzyl(dimethylcarbamoyl)amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide
CID 42736783
N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[(2-ethylphenyl)carbamoyl-propylamino]acetamide
CID 3969663
N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[(2,3-dichlorophenyl)carbamoyl-ethylamino]acetamide
CID 3918236
2-[benzyl-[(2,6-dimethylphenyl)carbamoyl]amino]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide
CID 4024541
N-benzyl-N-[2-[[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 3658654
2-[butyl-[(4-chlorophenyl)carbamoyl]amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide
CID 3594313
N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[(2-fluorophenyl)carbamoyl-propylamino]acetamide
CID 1062280
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[(2,3-dichlorophenyl)carbamoyl-ethylamino]acetamide
CID 4008723
N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[(2,3-dichlorophenyl)carbamoyl-(3-methoxypropyl)amino]acetamide
CID 5107845
N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[2-methoxyethyl(naphthalen-1-ylcarbamoyl)amino]acetamide
CID 42736044

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[(2,6-dimethylphenyl)carbamoyl-(2-phenylethyl)amino]acetamide?
The IUPAC name of N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[(2,6-dimethylphenyl)carbamoyl-(2-phenylethyl)amino]acetamide (CID 5189598) is N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[(2,6-dimethylphenyl)carbamoyl-(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[(2,6-dimethylphenyl)carbamoyl-(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[(2,6-dimethylphenyl)carbamoyl-(2-phenylethyl)amino]acetamide is Cc1cccc(C)c1NC(=O)N(CCc1ccccc1)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1Cl.
What is the InChIKey of N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[(2,6-dimethylphenyl)carbamoyl-(2-phenylethyl)amino]acetamide?
The InChIKey is URAMGQFZCIJUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36ClN5O2/c1-22-12-11-13-23(2)30(22)35-31(40)37(19-18-24-14-7-6-8-15-24)21-29(39)34-28-20-27(32(3,4)5)36-38(28)26-17-10-9-16-25(26)33/h6-17,20H,18-19,21H2,1-5H3,(H,34,39)(H,35,40).
What are the key properties of N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[(2,6-dimethylphenyl)carbamoyl-(2-phenylethyl)amino]acetamide?
N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[(2,6-dimethylphenyl)carbamoyl-(2-phenylethyl)amino]acetamide has a molecular weight of 558.13 g/mol, XLogP of 7.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[(2,6-dimethylphenyl)carbamoyl-(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 5189598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).