4-bromo-3,5-dimethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide

C20H20BrN3O3 — CID 26081852

IUPAC4-bromo-3,5-dimethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCc2ccc(-n3cccn3)cc2)cc(OC)c1Br
InChIInChI=1S/C20H20BrN3O3/c1-26-17-12-15(13-18(27-2)19(17)21)20(25)22-10-8-14-4-6-16(7-5-14)24-11-3-9-23-24/h3-7,9,11-13H,8,10H2,1-2H3,(H,22,25)
InChIKeyFTBIBEDPZCDRRZ-UHFFFAOYSA-N
MW430.30 g/mol
LogP3.62
Rot. Bonds7

About 4-bromo-3,5-dimethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide

4-bromo-3,5-dimethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide (PubChem CID 26081852) has the molecular formula C20H20BrN3O3 and a molecular weight of 430.30 g/mol. Its IUPAC name is 4-bromo-3,5-dimethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-3,5-dimethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
PubChem CID26081852
Molecular FormulaC20H20BrN3O3
Molecular Weight430.30 g/mol
Exact Mass429.07
IUPAC Name4-bromo-3,5-dimethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCc2ccc(-n3cccn3)cc2)cc(OC)c1Br
InChIInChI=1S/C20H20BrN3O3/c1-26-17-12-15(13-18(27-2)19(17)21)20(25)22-10-8-14-4-6-16(7-5-14)24-11-3-9-23-24/h3-7,9,11-13H,8,10H2,1-2H3,(H,22,25)
InChIKeyFTBIBEDPZCDRRZ-UHFFFAOYSA-N
XLogP3.62
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081638
5-fluoro-2-methoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 31122834
N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide
CID 110698153
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412823
1-(3-ethoxy-4-methoxyphenyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 87003086
4-methoxy-N-[2-[[N'-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111863419
3-bromo-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide
CID 41412794
2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 119699721
4-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412873
4-bromo-2-fluoro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081859
4-methyl-3-nitro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412921
3-ethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 39108144

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The IUPAC name of 4-bromo-3,5-dimethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide (CID 26081852) is 4-bromo-3,5-dimethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-3,5-dimethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The canonical SMILES for 4-bromo-3,5-dimethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide is COc1cc(C(=O)NCCc2ccc(-n3cccn3)cc2)cc(OC)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The InChIKey is FTBIBEDPZCDRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O3/c1-26-17-12-15(13-18(27-2)19(17)21)20(25)22-10-8-14-4-6-16(7-5-14)24-11-3-9-23-24/h3-7,9,11-13H,8,10H2,1-2H3,(H,22,25).
What are the key properties of 4-bromo-3,5-dimethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
4-bromo-3,5-dimethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide has a molecular weight of 430.30 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 26081852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).