2-bromo-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide

C20H27BrN4O2 — CID 42740459

IUPAC2-bromo-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(CC(=O)Nc1cc(C(C)(C)C)nn1C)C(=O)c1ccccc1Br
InChIInChI=1S/C20H27BrN4O2/c1-13(2)25(19(27)14-9-7-8-10-15(14)21)12-18(26)22-17-11-16(20(3,4)5)23-24(17)6/h7-11,13H,12H2,1-6H3,(H,22,26)
InChIKeyZJTPGNBPJCSCBL-UHFFFAOYSA-N
MW435.37 g/mol
LogP3.97
Rot. Bonds5

About 2-bromo-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide

2-bromo-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide (PubChem CID 42740459) has the molecular formula C20H27BrN4O2 and a molecular weight of 435.37 g/mol. Its IUPAC name is 2-bromo-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
PubChem CID42740459
Molecular FormulaC20H27BrN4O2
Molecular Weight435.37 g/mol
Exact Mass434.13
IUPAC Name2-bromo-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(CC(=O)Nc1cc(C(C)(C)C)nn1C)C(=O)c1ccccc1Br
InChIInChI=1S/C20H27BrN4O2/c1-13(2)25(19(27)14-9-7-8-10-15(14)21)12-18(26)22-17-11-16(20(3,4)5)23-24(17)6/h7-11,13H,12H2,1-6H3,(H,22,26)
InChIKeyZJTPGNBPJCSCBL-UHFFFAOYSA-N
XLogP3.97
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-bromo-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide
CID 42740425
(2R)-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2-chloro-2-phenyl-N-propan-2-ylacetamide
CID 1060774
2-[(2-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 42740614
2-bromo-N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3631284
N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-4-phenyl-N-propan-2-ylbenzamide
CID 42733521
2-bromo-N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(3-methylbutyl)benzamide
CID 3550476
3-bromo-N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 1052200
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[dimethylcarbamoyl(propan-2-yl)amino]acetamide
CID 42735336
N-benzyl-2-bromo-N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]benzamide
CID 42740960
2-bromo-N-butyl-N-[2-[[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]benzamide
CID 3378427
N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 1052740
2-bromo-N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 42735625

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide?
The IUPAC name of 2-bromo-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide (CID 42740459) is 2-bromo-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-bromo-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-bromo-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide is CC(C)N(CC(=O)Nc1cc(C(C)(C)C)nn1C)C(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide?
The InChIKey is ZJTPGNBPJCSCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrN4O2/c1-13(2)25(19(27)14-9-7-8-10-15(14)21)12-18(26)22-17-11-16(20(3,4)5)23-24(17)6/h7-11,13H,12H2,1-6H3,(H,22,26).
What are the key properties of 2-bromo-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide?
2-bromo-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide has a molecular weight of 435.37 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 42740459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).