3-(2-bromo-4-methoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine

C13H16BrN3O — CID 53418218

IUPAC3-(2-bromo-4-methoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine
SMILESCCc1c(-c2ccc(OC)cc2Br)nn(C)c1N
InChIInChI=1S/C13H16BrN3O/c1-4-9-12(16-17(2)13(9)15)10-6-5-8(18-3)7-11(10)14/h5-7H,4,15H2,1-3H3
InChIKeyJRQPXDMWMKAGMR-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.00
Rot. Bonds3

About 3-(2-bromo-4-methoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine

3-(2-bromo-4-methoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine (PubChem CID 53418218) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is 3-(2-bromo-4-methoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2-bromo-4-methoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine
PubChem CID53418218
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name3-(2-bromo-4-methoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine
SMILESCCc1c(-c2ccc(OC)cc2Br)nn(C)c1N
InChIInChI=1S/C13H16BrN3O/c1-4-9-12(16-17(2)13(9)15)10-6-5-8(18-3)7-11(10)14/h5-7H,4,15H2,1-3H3
InChIKeyJRQPXDMWMKAGMR-UHFFFAOYSA-N
XLogP3.00
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 43670816
1-benzyl-3-(2-bromo-4-methoxyphenyl)-4-ethylpyrazol-5-amine
CID 53416531
3-(2,5-dibromophenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 114373221
3-(2-fluoro-4-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 102883361
5-(2-bromo-4-methoxyphenyl)-4-ethyl-1H-pyrazol-3-amine
CID 91756346
4-ethyl-5-[2-(4-methoxyphenyl)ethyl]-2-methylpyrazol-3-amine
CID 43670771
3-(4-bromo-2-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 115369365
3-(2,3-dimethylphenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 43670733
4-ethyl-3-(3-methoxythiophen-2-yl)-1-methylpyrazol-5-amine
CID 81121896
3-(5-bromo-4-methylthiophen-2-yl)-4-ethyl-1-methylpyrazol-5-amine
CID 79990711
3-(4-bromo-2-fluorophenyl)-1-methyl-4-propylpyrazol-5-amine
CID 79405825
5-amino-3-(4-methoxy-2-methylphenyl)-1-methylpyrazole-4-carboxamide
CID 144571789

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-methoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine?
The IUPAC name of 3-(2-bromo-4-methoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine (CID 53418218) is 3-(2-bromo-4-methoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(2-bromo-4-methoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(2-bromo-4-methoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine is CCc1c(-c2ccc(OC)cc2Br)nn(C)c1N.
What is the InChIKey of 3-(2-bromo-4-methoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine?
The InChIKey is JRQPXDMWMKAGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-4-9-12(16-17(2)13(9)15)10-6-5-8(18-3)7-11(10)14/h5-7H,4,15H2,1-3H3.
What are the key properties of 3-(2-bromo-4-methoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine?
3-(2-bromo-4-methoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine has a molecular weight of 310.19 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-methoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine is sourced from PubChem (CID 53418218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).