2-[benzyl(dimethylcarbamoyl)amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide

C25H30ClN5O2 — CID 42736783

IUPAC2-[benzyl(dimethylcarbamoyl)amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide
SMILESCN(C)C(=O)N(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1Cl)Cc1ccccc1
InChIInChI=1S/C25H30ClN5O2/c1-25(2,3)21-15-22(31(28-21)20-14-10-9-13-19(20)26)27-23(32)17-30(24(33)29(4)5)16-18-11-7-6-8-12-18/h6-15H,16-17H2,1-5H3,(H,27,32)
InChIKeyKWZHLMCVOPZCMZ-UHFFFAOYSA-N
MW468.00 g/mol
LogP4.95
Rot. Bonds6

About 2-[benzyl(dimethylcarbamoyl)amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide

2-[benzyl(dimethylcarbamoyl)amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide (PubChem CID 42736783) has the molecular formula C25H30ClN5O2 and a molecular weight of 468.00 g/mol. Its IUPAC name is 2-[benzyl(dimethylcarbamoyl)amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[benzyl(dimethylcarbamoyl)amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide
PubChem CID42736783
Molecular FormulaC25H30ClN5O2
Molecular Weight468.00 g/mol
Exact Mass467.21
IUPAC Name2-[benzyl(dimethylcarbamoyl)amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide
SMILESCN(C)C(=O)N(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1Cl)Cc1ccccc1
InChIInChI=1S/C25H30ClN5O2/c1-25(2,3)21-15-22(31(28-21)20-14-10-9-13-19(20)26)27-23(32)17-30(24(33)29(4)5)16-18-11-7-6-8-12-18/h6-15H,16-17H2,1-5H3,(H,27,32)
InChIKeyKWZHLMCVOPZCMZ-UHFFFAOYSA-N
XLogP4.95
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.00
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(dimethylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 42740945
N-benzyl-N-[2-[[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 3658654
N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenylmethoxyacetyl)amino]acetamide
CID 4684063
N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[(2,6-dimethylphenyl)carbamoyl-(2-phenylethyl)amino]acetamide
CID 5189598
N-benzyl-N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3-chloro-2,2-dimethylpropanamide
CID 4536485
N-[2-[[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-4-pentylbenzamide
CID 42732134
N-[2-[[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-3-methylbutanamide
CID 42732139
N-benzyl-N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-methylbenzamide
CID 3436068
N-[2-[[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-4-hexylbenzamide
CID 4019731
N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[2-methoxyethyl-(2-phenylmethoxyacetyl)amino]acetamide
CID 3512276
N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[butyl-(2-phenylmethoxyacetyl)amino]acetamide
CID 3279055
N-[2-[[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-chloro-N-propylpropanamide
CID 3536089

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(dimethylcarbamoyl)amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide?
The IUPAC name of 2-[benzyl(dimethylcarbamoyl)amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide (CID 42736783) is 2-[benzyl(dimethylcarbamoyl)amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide.
What is the SMILES notation for 2-[benzyl(dimethylcarbamoyl)amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide?
The canonical SMILES for 2-[benzyl(dimethylcarbamoyl)amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide is CN(C)C(=O)N(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1Cl)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(dimethylcarbamoyl)amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide?
The InChIKey is KWZHLMCVOPZCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O2/c1-25(2,3)21-15-22(31(28-21)20-14-10-9-13-19(20)26)27-23(32)17-30(24(33)29(4)5)16-18-11-7-6-8-12-18/h6-15H,16-17H2,1-5H3,(H,27,32).
What are the key properties of 2-[benzyl(dimethylcarbamoyl)amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide?
2-[benzyl(dimethylcarbamoyl)amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide has a molecular weight of 468.00 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(dimethylcarbamoyl)amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 42736783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).