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

C25H31N5O2 — CID 42740945

IUPAC2-[benzyl(dimethylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
SMILESCN(C)C(=O)N(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H31N5O2/c1-25(2,3)21-16-22(30(27-21)20-14-10-7-11-15-20)26-23(31)18-29(24(32)28(4)5)17-19-12-8-6-9-13-19/h6-16H,17-18H2,1-5H3,(H,26,31)
InChIKeyOQPGRYKQHIZUCT-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.29
Rot. Bonds6

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

2-[benzyl(dimethylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide (PubChem CID 42740945) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 2-[benzyl(dimethylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[benzyl(dimethylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
PubChem CID42740945
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name2-[benzyl(dimethylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
SMILESCN(C)C(=O)N(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H31N5O2/c1-25(2,3)21-16-22(30(27-21)20-14-10-7-11-15-20)26-23(31)18-29(24(32)28(4)5)17-19-12-8-6-9-13-19/h6-16H,17-18H2,1-5H3,(H,26,31)
InChIKeyOQPGRYKQHIZUCT-UHFFFAOYSA-N
XLogP4.29
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]propanamide
CID 1060840
2-[benzyl(dimethylcarbamoyl)amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide
CID 42736783
2-[butyl(dimethylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 3401511
2-[benzyl(ethylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 42740988
N-benzyl-N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]benzamide
CID 42734696
N-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]hexanamide
CID 4665313
2-[benzyl(butylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 42740989
N-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-2-methoxybenzamide
CID 42740944
N-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 42740947
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[dimethylcarbamoyl(propan-2-yl)amino]acetamide
CID 42735336
N-benzyl-N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-chloropropanamide
CID 3972116
2-[benzyl-[(2,6-dimethylphenyl)carbamoyl]amino]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide
CID 4024541

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(dimethylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide?
The IUPAC name of 2-[benzyl(dimethylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide (CID 42740945) is 2-[benzyl(dimethylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-[benzyl(dimethylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-[benzyl(dimethylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide is CN(C)C(=O)N(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(dimethylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide?
The InChIKey is OQPGRYKQHIZUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-25(2,3)21-16-22(30(27-21)20-14-10-7-11-15-20)26-23(31)18-29(24(32)28(4)5)17-19-12-8-6-9-13-19/h6-16H,17-18H2,1-5H3,(H,26,31).
What are the key properties of 2-[benzyl(dimethylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide?
2-[benzyl(dimethylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide has a molecular weight of 433.56 g/mol, XLogP of 4.29, 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-phenylpyrazol-5-yl)acetamide is sourced from PubChem (CID 42740945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).