N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1-methylpyrazol-4-amine

C13H15Br2N3O — CID 43776644

IUPACN-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1-methylpyrazol-4-amine
SMILESCCOc1c(Br)cc(Br)cc1CNc1cnn(C)c1
InChIInChI=1S/C13H15Br2N3O/c1-3-19-13-9(4-10(14)5-12(13)15)6-16-11-7-17-18(2)8-11/h4-5,7-8,16H,3,6H2,1-2H3
InChIKeyIFWDBAYIZPSBLA-UHFFFAOYSA-N
MW389.09 g/mol
LogP3.96
Rot. Bonds5

About N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1-methylpyrazol-4-amine

N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1-methylpyrazol-4-amine (PubChem CID 43776644) has the molecular formula C13H15Br2N3O and a molecular weight of 389.09 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1-methylpyrazol-4-amine
PubChem CID43776644
Molecular FormulaC13H15Br2N3O
Molecular Weight389.09 g/mol
Exact Mass386.96
IUPAC NameN-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1-methylpyrazol-4-amine
SMILESCCOc1c(Br)cc(Br)cc1CNc1cnn(C)c1
InChIInChI=1S/C13H15Br2N3O/c1-3-19-13-9(4-10(14)5-12(13)15)6-16-11-7-17-18(2)8-11/h4-5,7-8,16H,3,6H2,1-2H3
InChIKeyIFWDBAYIZPSBLA-UHFFFAOYSA-N
XLogP3.96
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.09
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-5-methylpyridin-3-amine
CID 107584894
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1H-pyrazol-4-amine
CID 43776849
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-methylpyrazol-4-amine
CID 43776617
1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine
CID 4717481
N-[(2-ethoxyphenyl)methyl]-1-methylpyrazol-4-amine
CID 43535024
2,6-dibromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline
CID 107597573
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-methylpyrazol-4-amine
CID 43534717
N-[(2-bromo-4-methylphenyl)methyl]-1-methylpyrazol-4-amine
CID 115556752
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 4725454
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-3-methylsulfanylaniline
CID 43757273
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331469
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylaniline
CID 43766092

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1-methylpyrazol-4-amine (CID 43776644) is N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1-methylpyrazol-4-amine is CCOc1c(Br)cc(Br)cc1CNc1cnn(C)c1.
What is the InChIKey of N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1-methylpyrazol-4-amine?
The InChIKey is IFWDBAYIZPSBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2N3O/c1-3-19-13-9(4-10(14)5-12(13)15)6-16-11-7-17-18(2)8-11/h4-5,7-8,16H,3,6H2,1-2H3.
What are the key properties of N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1-methylpyrazol-4-amine?
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1-methylpyrazol-4-amine has a molecular weight of 389.09 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 43776644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).