2-bromo-4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-6-methoxyphenol

C14H18BrN3O2 — CID 103909123

IUPAC2-bromo-4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-6-methoxyphenol
SMILESCCc1nn(C)cc1NCc1cc(Br)c(O)c(OC)c1
InChIInChI=1S/C14H18BrN3O2/c1-4-11-12(8-18(2)17-11)16-7-9-5-10(15)14(19)13(6-9)20-3/h5-6,8,16,19H,4,7H2,1-3H3
InChIKeyWWJGYFHMZBABAY-UHFFFAOYSA-N
MW340.22 g/mol
LogP3.07
Rot. Bonds5

About 2-bromo-4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-6-methoxyphenol

2-bromo-4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-6-methoxyphenol (PubChem CID 103909123) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 2-bromo-4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-bromo-4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-6-methoxyphenol
PubChem CID103909123
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name2-bromo-4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-6-methoxyphenol
SMILESCCc1nn(C)cc1NCc1cc(Br)c(O)c(OC)c1
InChIInChI=1S/C14H18BrN3O2/c1-4-11-12(8-18(2)17-11)16-7-9-5-10(15)14(19)13(6-9)20-3/h5-6,8,16,19H,4,7H2,1-3H3
InChIKeyWWJGYFHMZBABAY-UHFFFAOYSA-N
XLogP3.07
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol
CID 107462452
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909106
N-[(2,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909000
2-bromo-4-[(4-bromo-2-ethylanilino)methyl]-6-methoxyphenol
CID 81287311
2-ethoxy-4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]phenol
CID 107462470
3-ethyl-1-methyl-N-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-amine
CID 103909014
5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methoxybenzenesulfonamide
CID 103908024
2-bromo-4-[(4-ethoxyanilino)methyl]-6-methoxyphenol
CID 29041411
2-bromo-6-methoxy-4-[(1H-pyrazol-4-ylamino)methyl]phenol
CID 43540114
N-[(2-bromo-4-fluorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909034
3-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrazol-4-amine
CID 103909192
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-6-methoxyphenol?
The IUPAC name of 2-bromo-4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-6-methoxyphenol (CID 103909123) is 2-bromo-4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-bromo-4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-bromo-4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-6-methoxyphenol is CCc1nn(C)cc1NCc1cc(Br)c(O)c(OC)c1.
What is the InChIKey of 2-bromo-4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-6-methoxyphenol?
The InChIKey is WWJGYFHMZBABAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-4-11-12(8-18(2)17-11)16-7-9-5-10(15)14(19)13(6-9)20-3/h5-6,8,16,19H,4,7H2,1-3H3.
What are the key properties of 2-bromo-4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-6-methoxyphenol?
2-bromo-4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-6-methoxyphenol has a molecular weight of 340.22 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]-6-methoxyphenol is sourced from PubChem (CID 103909123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).