4-bromo-3,5-dimethoxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide

C14H16BrN3O3 — CID 103856688

IUPAC4-bromo-3,5-dimethoxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCOc1cc(C(=O)NC(C)c2cn[nH]c2)cc(OC)c1Br
InChIInChI=1S/C14H16BrN3O3/c1-8(10-6-16-17-7-10)18-14(19)9-4-11(20-2)13(15)12(5-9)21-3/h4-8H,1-3H3,(H,16,17)(H,18,19)
InChIKeyOSKPSISUOBSHRS-UHFFFAOYSA-N
MW354.20 g/mol
LogP2.68
Rot. Bonds5

About 4-bromo-3,5-dimethoxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide

4-bromo-3,5-dimethoxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (PubChem CID 103856688) has the molecular formula C14H16BrN3O3 and a molecular weight of 354.20 g/mol. Its IUPAC name is 4-bromo-3,5-dimethoxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-3,5-dimethoxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
PubChem CID103856688
Molecular FormulaC14H16BrN3O3
Molecular Weight354.20 g/mol
Exact Mass353.04
IUPAC Name4-bromo-3,5-dimethoxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCOc1cc(C(=O)NC(C)c2cn[nH]c2)cc(OC)c1Br
InChIInChI=1S/C14H16BrN3O3/c1-8(10-6-16-17-7-10)18-14(19)9-4-11(20-2)13(15)12(5-9)21-3/h4-8H,1-3H3,(H,16,17)(H,18,19)
InChIKeyOSKPSISUOBSHRS-UHFFFAOYSA-N
XLogP2.68
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856038
3-(difluoromethoxy)-4-methoxy-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 97245131
2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856637
5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 113339663
5-bromo-2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857031
4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106218102
5-chloro-6-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 106218044
N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide
CID 43874047
2-ethyl-6-hydrazinyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 106218268
3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 2557457
(2S,3R)-2-[(4-bromo-3,5-dimethoxybenzoyl)amino]-3-hydroxybutanoic acid
CID 104964557
N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 60968183

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethoxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-bromo-3,5-dimethoxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (CID 103856688) is 4-bromo-3,5-dimethoxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-3,5-dimethoxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-bromo-3,5-dimethoxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is COc1cc(C(=O)NC(C)c2cn[nH]c2)cc(OC)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethoxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The InChIKey is OSKPSISUOBSHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O3/c1-8(10-6-16-17-7-10)18-14(19)9-4-11(20-2)13(15)12(5-9)21-3/h4-8H,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 4-bromo-3,5-dimethoxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
4-bromo-3,5-dimethoxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide has a molecular weight of 354.20 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethoxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 103856688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).