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

C12H13Br2N3O — CID 43776849

IUPACN-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1H-pyrazol-4-amine
SMILESCCOc1c(Br)cc(Br)cc1CNc1cn[nH]c1
InChIInChI=1S/C12H13Br2N3O/c1-2-18-12-8(3-9(13)4-11(12)14)5-15-10-6-16-17-7-10/h3-4,6-7,15H,2,5H2,1H3,(H,16,17)
InChIKeyCAJZNSPUXYJGFD-UHFFFAOYSA-N
MW375.06 g/mol
LogP3.95
Rot. Bonds5

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

N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1H-pyrazol-4-amine (PubChem CID 43776849) has the molecular formula C12H13Br2N3O and a molecular weight of 375.06 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1H-pyrazol-4-amine
PubChem CID43776849
Molecular FormulaC12H13Br2N3O
Molecular Weight375.06 g/mol
Exact Mass372.94
IUPAC NameN-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1H-pyrazol-4-amine
SMILESCCOc1c(Br)cc(Br)cc1CNc1cn[nH]c1
InChIInChI=1S/C12H13Br2N3O/c1-2-18-12-8(3-9(13)4-11(12)14)5-15-10-6-16-17-7-10/h3-4,6-7,15H,2,5H2,1H3,(H,16,17)
InChIKeyCAJZNSPUXYJGFD-UHFFFAOYSA-N
XLogP3.95
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.06
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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]-1-methylpyrazol-4-amine
CID 43776644
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 4725454
1-(3,5-dibromo-2-ethoxyphenyl)-N-methylmethanamine
CID 4717481
2,6-dibromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline
CID 107597573
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-3-methylsulfanylaniline
CID 43757273
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylaniline
CID 43766092
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103460542
5-bromo-2-chloro-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline
CID 63477755
5-bromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-fluoroaniline
CID 43777548
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331469
(2S)-1-[(3,5-dibromo-2-ethoxyphenyl)methylamino]propan-2-ol
CID 51432536

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1H-pyrazol-4-amine?
The IUPAC name of N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1H-pyrazol-4-amine (CID 43776849) is N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1H-pyrazol-4-amine.
What is the SMILES notation for N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1H-pyrazol-4-amine?
The canonical SMILES for N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1H-pyrazol-4-amine is CCOc1c(Br)cc(Br)cc1CNc1cn[nH]c1.
What is the InChIKey of N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1H-pyrazol-4-amine?
The InChIKey is CAJZNSPUXYJGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N3O/c1-2-18-12-8(3-9(13)4-11(12)14)5-15-10-6-16-17-7-10/h3-4,6-7,15H,2,5H2,1H3,(H,16,17).
What are the key properties of N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1H-pyrazol-4-amine?
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1H-pyrazol-4-amine has a molecular weight of 375.06 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 43776849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).