N-(4-bromo-3,5-dimethoxyphenyl)-2-(1H-pyrazol-5-yl)acetamide

C13H14BrN3O3 — CID 75444703

IUPACN-(4-bromo-3,5-dimethoxyphenyl)-2-(1H-pyrazol-5-yl)acetamide
SMILESCOc1cc(NC(=O)Cc2ccn[nH]2)cc(OC)c1Br
InChIInChI=1S/C13H14BrN3O3/c1-19-10-5-9(6-11(20-2)13(10)14)16-12(18)7-8-3-4-15-17-8/h3-6H,7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyDBMBXIUSFNXGBN-UHFFFAOYSA-N
MW340.18 g/mol
LogP2.37
Rot. Bonds5

About N-(4-bromo-3,5-dimethoxyphenyl)-2-(1H-pyrazol-5-yl)acetamide

N-(4-bromo-3,5-dimethoxyphenyl)-2-(1H-pyrazol-5-yl)acetamide (PubChem CID 75444703) has the molecular formula C13H14BrN3O3 and a molecular weight of 340.18 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethoxyphenyl)-2-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethoxyphenyl)-2-(1H-pyrazol-5-yl)acetamide
PubChem CID75444703
Molecular FormulaC13H14BrN3O3
Molecular Weight340.18 g/mol
Exact Mass339.02
IUPAC NameN-(4-bromo-3,5-dimethoxyphenyl)-2-(1H-pyrazol-5-yl)acetamide
SMILESCOc1cc(NC(=O)Cc2ccn[nH]2)cc(OC)c1Br
InChIInChI=1S/C13H14BrN3O3/c1-19-10-5-9(6-11(20-2)13(10)14)16-12(18)7-8-3-4-15-17-8/h3-6H,7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyDBMBXIUSFNXGBN-UHFFFAOYSA-N
XLogP2.37
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 31936823
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CID 46339382
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CID 46339658
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CID 61684944
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CID 62415638
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CID 63999244
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CID 71983229
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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethoxyphenyl)-2-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of N-(4-bromo-3,5-dimethoxyphenyl)-2-(1H-pyrazol-5-yl)acetamide (CID 75444703) is N-(4-bromo-3,5-dimethoxyphenyl)-2-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethoxyphenyl)-2-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for N-(4-bromo-3,5-dimethoxyphenyl)-2-(1H-pyrazol-5-yl)acetamide is COc1cc(NC(=O)Cc2ccn[nH]2)cc(OC)c1Br.
What is the InChIKey of N-(4-bromo-3,5-dimethoxyphenyl)-2-(1H-pyrazol-5-yl)acetamide?
The InChIKey is DBMBXIUSFNXGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O3/c1-19-10-5-9(6-11(20-2)13(10)14)16-12(18)7-8-3-4-15-17-8/h3-6H,7H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(4-bromo-3,5-dimethoxyphenyl)-2-(1H-pyrazol-5-yl)acetamide?
N-(4-bromo-3,5-dimethoxyphenyl)-2-(1H-pyrazol-5-yl)acetamide has a molecular weight of 340.18 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethoxyphenyl)-2-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 75444703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).