N-[2-(4-bromopyrazol-1-yl)ethyl]-2,4-dimethoxybenzamide

C14H16BrN3O3 — CID 19282928

IUPACN-[2-(4-bromopyrazol-1-yl)ethyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCn2cc(Br)cn2)c(OC)c1
InChIInChI=1S/C14H16BrN3O3/c1-20-11-3-4-12(13(7-11)21-2)14(19)16-5-6-18-9-10(15)8-17-18/h3-4,7-9H,5-6H2,1-2H3,(H,16,19)
InChIKeyLYQAVTQEHUPALW-UHFFFAOYSA-N
MW354.20 g/mol
LogP2.09
Rot. Bonds6

About N-[2-(4-bromopyrazol-1-yl)ethyl]-2,4-dimethoxybenzamide

N-[2-(4-bromopyrazol-1-yl)ethyl]-2,4-dimethoxybenzamide (PubChem CID 19282928) has the molecular formula C14H16BrN3O3 and a molecular weight of 354.20 g/mol. Its IUPAC name is N-[2-(4-bromopyrazol-1-yl)ethyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-bromopyrazol-1-yl)ethyl]-2,4-dimethoxybenzamide
PubChem CID19282928
Molecular FormulaC14H16BrN3O3
Molecular Weight354.20 g/mol
Exact Mass353.04
IUPAC NameN-[2-(4-bromopyrazol-1-yl)ethyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCn2cc(Br)cn2)c(OC)c1
InChIInChI=1S/C14H16BrN3O3/c1-20-11-3-4-12(13(7-11)21-2)14(19)16-5-6-18-9-10(15)8-17-18/h3-4,7-9H,5-6H2,1-2H3,(H,16,19)
InChIKeyLYQAVTQEHUPALW-UHFFFAOYSA-N
XLogP2.09
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
N-[4-(4-bromopyrazol-1-yl)phenyl]-2,4-dimethoxybenzamide
CID 35275522
N-[2-(4-bromopyrazol-1-yl)ethyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19282996
N-(3-hydroxypropyl)-2,4-dimethoxybenzamide
CID 43390013
N-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19282730
N-[3-(ethylamino)propyl]-2,4-dimethoxybenzamide
CID 43601745
N-benzyl-1-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]-N-methyltriazole-4-carboxamide
CID 26349069
N-[2-(4-bromopyrazol-1-yl)ethyl]-2-iodobenzamide
CID 19282707
2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266860
N-[2-(benzimidazol-1-yl)ethyl]-2,4-dimethoxybenzamide
CID 47069219

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromopyrazol-1-yl)ethyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[2-(4-bromopyrazol-1-yl)ethyl]-2,4-dimethoxybenzamide (CID 19282928) is N-[2-(4-bromopyrazol-1-yl)ethyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(4-bromopyrazol-1-yl)ethyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(4-bromopyrazol-1-yl)ethyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NCCn2cc(Br)cn2)c(OC)c1.
What is the InChIKey of N-[2-(4-bromopyrazol-1-yl)ethyl]-2,4-dimethoxybenzamide?
The InChIKey is LYQAVTQEHUPALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O3/c1-20-11-3-4-12(13(7-11)21-2)14(19)16-5-6-18-9-10(15)8-17-18/h3-4,7-9H,5-6H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(4-bromopyrazol-1-yl)ethyl]-2,4-dimethoxybenzamide?
N-[2-(4-bromopyrazol-1-yl)ethyl]-2,4-dimethoxybenzamide has a molecular weight of 354.20 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromopyrazol-1-yl)ethyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 19282928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).