4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide

C16H20BrN3O3 — CID 19266232

IUPAC4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2nn(C)c(C)c2Br)c1
InChIInChI=1S/C16H20BrN3O3/c1-9(12-8-11(22-4)6-7-13(12)23-5)18-16(21)15-14(17)10(2)20(3)19-15/h6-9H,1-5H3,(H,18,21)
InChIKeyKOHZARDAWNFFKX-UHFFFAOYSA-N
MW382.26 g/mol
LogP3.00
Rot. Bonds5

About 4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide

4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 19266232) has the molecular formula C16H20BrN3O3 and a molecular weight of 382.26 g/mol. Its IUPAC name is 4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID19266232
Molecular FormulaC16H20BrN3O3
Molecular Weight382.26 g/mol
Exact Mass381.07
IUPAC Name4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2nn(C)c(C)c2Br)c1
InChIInChI=1S/C16H20BrN3O3/c1-9(12-8-11(22-4)6-7-13(12)23-5)18-16(21)15-14(17)10(2)20(3)19-15/h6-9H,1-5H3,(H,18,21)
InChIKeyKOHZARDAWNFFKX-UHFFFAOYSA-N
XLogP3.00
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide 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-(2,5-Dimethoxyphenyl)ethyl]-2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]propanamide
CID 16022638
N-[(2,5-Dimethoxyphenyl)methyl]-4-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]butanamide
CID 16022720
N-[2-(2,5-Dimethoxyphenyl)ethyl]-2-{3,4-dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}acetamide
CID 20919638
N-[2-(2,5-Dimethoxyphenyl)ethyl]-2-{3,4-dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}propanamide
CID 20919721
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 20919770
N-[2-(2,5-Dimethoxyphenyl)ethyl]-2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]acetamide
CID 20919845
4-bromo-5-phenyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 145966887
1-benzyl-4-bromo-5-phenyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 145967754
4-bromo-5-ethyl-1-phenyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 145972093
4-bromo-1-methyl-5-phenyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 145973703
N-(2-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5214848
N-[3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propyl]-2-methoxybenzamide
CID 2225516

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide (CID 19266232) is 4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide is COc1ccc(OC)c(C(C)NC(=O)c2nn(C)c(C)c2Br)c1.
What is the InChIKey of 4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is KOHZARDAWNFFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O3/c1-9(12-8-11(22-4)6-7-13(12)23-5)18-16(21)15-14(17)10(2)20(3)19-15/h6-9H,1-5H3,(H,18,21).
What are the key properties of 4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide?
4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 382.26 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19266232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).