4-bromo-3,5-dimethoxy-N-(1-methylpyrazol-4-yl)benzamide

C13H14BrN3O3 — CID 32606056

IUPAC4-bromo-3,5-dimethoxy-N-(1-methylpyrazol-4-yl)benzamide
SMILESCOc1cc(C(=O)Nc2cnn(C)c2)cc(OC)c1Br
InChIInChI=1S/C13H14BrN3O3/c1-17-7-9(6-15-17)16-13(18)8-4-10(19-2)12(14)11(5-8)20-3/h4-7H,1-3H3,(H,16,18)
InChIKeyDHALOVZAFVQDLU-UHFFFAOYSA-N
MW340.18 g/mol
LogP2.45
Rot. Bonds4

About 4-bromo-3,5-dimethoxy-N-(1-methylpyrazol-4-yl)benzamide

4-bromo-3,5-dimethoxy-N-(1-methylpyrazol-4-yl)benzamide (PubChem CID 32606056) has the molecular formula C13H14BrN3O3 and a molecular weight of 340.18 g/mol. Its IUPAC name is 4-bromo-3,5-dimethoxy-N-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3,5-dimethoxy-N-(1-methylpyrazol-4-yl)benzamide
PubChem CID32606056
Molecular FormulaC13H14BrN3O3
Molecular Weight340.18 g/mol
Exact Mass339.02
IUPAC Name4-bromo-3,5-dimethoxy-N-(1-methylpyrazol-4-yl)benzamide
SMILESCOc1cc(C(=O)Nc2cnn(C)c2)cc(OC)c1Br
InChIInChI=1S/C13H14BrN3O3/c1-17-7-9(6-15-17)16-13(18)8-4-10(19-2)12(14)11(5-8)20-3/h4-7H,1-3H3,(H,16,18)
InChIKeyDHALOVZAFVQDLU-UHFFFAOYSA-N
XLogP2.45
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-methoxy-N-(1-methylpyrazol-4-yl)benzamide
CID 81089867
4-bromo-3,5-dimethoxy-N-pyridin-3-ylbenzamide
CID 27165075
6-methyl-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 43074255
4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide
CID 26687629
2-chloro-6-hydrazinyl-N-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
CID 62242493
4-bromo-N-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 81448839
4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 60749610
4-bromo-3,5-dimethoxy-N-methylbenzamide
CID 47122657
4-bromo-3,5-dimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26705752
5-chloro-6-hydrazinyl-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 62241771
4-(4-bromopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)benzamide
CID 32609396
4-ethoxy-5-methoxy-N-(1-methylpyrazol-4-yl)-2-nitrobenzamide
CID 31920662

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethoxy-N-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 4-bromo-3,5-dimethoxy-N-(1-methylpyrazol-4-yl)benzamide (CID 32606056) is 4-bromo-3,5-dimethoxy-N-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-bromo-3,5-dimethoxy-N-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-bromo-3,5-dimethoxy-N-(1-methylpyrazol-4-yl)benzamide is COc1cc(C(=O)Nc2cnn(C)c2)cc(OC)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethoxy-N-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is DHALOVZAFVQDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O3/c1-17-7-9(6-15-17)16-13(18)8-4-10(19-2)12(14)11(5-8)20-3/h4-7H,1-3H3,(H,16,18).
What are the key properties of 4-bromo-3,5-dimethoxy-N-(1-methylpyrazol-4-yl)benzamide?
4-bromo-3,5-dimethoxy-N-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 340.18 g/mol, XLogP of 2.45, 4 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-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 32606056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).