3-amino-2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]benzamide

C14H17BrN4O2 — CID 107873569

IUPAC3-amino-2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]benzamide
SMILESCCc1nn(C)c(COc2c(N)cccc2C(N)=O)c1Br
InChIInChI=1S/C14H17BrN4O2/c1-3-10-12(15)11(19(2)18-10)7-21-13-8(14(17)20)5-4-6-9(13)16/h4-6H,3,7,16H2,1-2H3,(H2,17,20)
InChIKeyILNVHDIWBFZLMM-UHFFFAOYSA-N
MW353.22 g/mol
LogP2.01
Rot. Bonds5

About 3-amino-2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]benzamide

3-amino-2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]benzamide (PubChem CID 107873569) has the molecular formula C14H17BrN4O2 and a molecular weight of 353.22 g/mol. Its IUPAC name is 3-amino-2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]benzamide.

Molecular Properties

Compound Name3-amino-2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]benzamide
PubChem CID107873569
Molecular FormulaC14H17BrN4O2
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name3-amino-2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]benzamide
SMILESCCc1nn(C)c(COc2c(N)cccc2C(N)=O)c1Br
InChIInChI=1S/C14H17BrN4O2/c1-3-10-12(15)11(19(2)18-10)7-21-13-8(14(17)20)5-4-6-9(13)16/h4-6H,3,7,16H2,1-2H3,(H2,17,20)
InChIKeyILNVHDIWBFZLMM-UHFFFAOYSA-N
XLogP2.01
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-chlorobenzoic acid
CID 115955859
3-bromo-2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]aniline
CID 81499785
3-amino-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]benzamide
CID 107873570
2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-fluoroaniline
CID 104831258
2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-5-fluorobenzoic acid
CID 115297984
1-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 115952558
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-bromo-3-fluorophenyl)ethanone
CID 114977949
1-(3-bromo-2-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 114978090
3-amino-2-nonoxybenzamide
CID 107873437
3-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methylsulfanyl]-2-methylaniline
CID 79144163
3-amino-2-[(3,4-dichlorophenyl)methoxy]benzamide
CID 107873411
[5-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-pyridinyl]methanol
CID 79800276

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]benzamide?
The IUPAC name of 3-amino-2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]benzamide (CID 107873569) is 3-amino-2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]benzamide.
What is the SMILES notation for 3-amino-2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]benzamide?
The canonical SMILES for 3-amino-2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]benzamide is CCc1nn(C)c(COc2c(N)cccc2C(N)=O)c1Br.
What is the InChIKey of 3-amino-2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]benzamide?
The InChIKey is ILNVHDIWBFZLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2/c1-3-10-12(15)11(19(2)18-10)7-21-13-8(14(17)20)5-4-6-9(13)16/h4-6H,3,7,16H2,1-2H3,(H2,17,20).
What are the key properties of 3-amino-2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]benzamide?
3-amino-2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]benzamide has a molecular weight of 353.22 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]benzamide is sourced from PubChem (CID 107873569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).