1-benzyl-3-(2-bromo-4-methoxyphenyl)-4-ethylpyrazol-5-amine

C19H20BrN3O — CID 53416531

IUPAC1-benzyl-3-(2-bromo-4-methoxyphenyl)-4-ethylpyrazol-5-amine
SMILESCCc1c(-c2ccc(OC)cc2Br)nn(Cc2ccccc2)c1N
InChIInChI=1S/C19H20BrN3O/c1-3-15-18(16-10-9-14(24-2)11-17(16)20)22-23(19(15)21)12-13-7-5-4-6-8-13/h4-11H,3,12,21H2,1-2H3
InChIKeyHZIJGCCMGUTPOH-UHFFFAOYSA-N
MW386.29 g/mol
LogP4.51
Rot. Bonds5

About 1-benzyl-3-(2-bromo-4-methoxyphenyl)-4-ethylpyrazol-5-amine

1-benzyl-3-(2-bromo-4-methoxyphenyl)-4-ethylpyrazol-5-amine (PubChem CID 53416531) has the molecular formula C19H20BrN3O and a molecular weight of 386.29 g/mol. Its IUPAC name is 1-benzyl-3-(2-bromo-4-methoxyphenyl)-4-ethylpyrazol-5-amine.

Molecular Properties

Compound Name1-benzyl-3-(2-bromo-4-methoxyphenyl)-4-ethylpyrazol-5-amine
PubChem CID53416531
Molecular FormulaC19H20BrN3O
Molecular Weight386.29 g/mol
Exact Mass385.08
IUPAC Name1-benzyl-3-(2-bromo-4-methoxyphenyl)-4-ethylpyrazol-5-amine
SMILESCCc1c(-c2ccc(OC)cc2Br)nn(Cc2ccccc2)c1N
InChIInChI=1S/C19H20BrN3O/c1-3-15-18(16-10-9-14(24-2)11-17(16)20)22-23(19(15)21)12-13-7-5-4-6-8-13/h4-11H,3,12,21H2,1-2H3
InChIKeyHZIJGCCMGUTPOH-UHFFFAOYSA-N
XLogP4.51
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-bromo-4-methoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 53418218
3-(2,4-dimethoxyphenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 43670816
1-benzyl-4-(4-methoxyphenyl)-3-methylpyrazol-5-amine
CID 970025
1-benzyl-4-bromo-3,5-bis(4-methoxyphenyl)pyrazole
CID 19586324
4-ethyl-3,5-bis(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrazole
CID 19586315
2-benzyl-4-(2-fluoro-4-methoxyphenyl)-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42667474
5-(2-bromo-4-methoxyphenyl)-4-ethyl-1H-pyrazol-3-amine
CID 91756346
2-benzyl-6-(2,5-dimethoxyphenyl)pyridazin-3-one
CID 7671786
2-benzyl-4-(2-fluoro-4-methoxyphenyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42807732
5-bromo-1-[(4-methoxyphenyl)methyl]-3-phenylindazole
CID 162528409
2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene
CID 91451800
2-benzyl-4-(2-fluoro-4-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42667482

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-bromo-4-methoxyphenyl)-4-ethylpyrazol-5-amine?
The IUPAC name of 1-benzyl-3-(2-bromo-4-methoxyphenyl)-4-ethylpyrazol-5-amine (CID 53416531) is 1-benzyl-3-(2-bromo-4-methoxyphenyl)-4-ethylpyrazol-5-amine.
What is the SMILES notation for 1-benzyl-3-(2-bromo-4-methoxyphenyl)-4-ethylpyrazol-5-amine?
The canonical SMILES for 1-benzyl-3-(2-bromo-4-methoxyphenyl)-4-ethylpyrazol-5-amine is CCc1c(-c2ccc(OC)cc2Br)nn(Cc2ccccc2)c1N.
What is the InChIKey of 1-benzyl-3-(2-bromo-4-methoxyphenyl)-4-ethylpyrazol-5-amine?
The InChIKey is HZIJGCCMGUTPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O/c1-3-15-18(16-10-9-14(24-2)11-17(16)20)22-23(19(15)21)12-13-7-5-4-6-8-13/h4-11H,3,12,21H2,1-2H3.
What are the key properties of 1-benzyl-3-(2-bromo-4-methoxyphenyl)-4-ethylpyrazol-5-amine?
1-benzyl-3-(2-bromo-4-methoxyphenyl)-4-ethylpyrazol-5-amine has a molecular weight of 386.29 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-bromo-4-methoxyphenyl)-4-ethylpyrazol-5-amine is sourced from PubChem (CID 53416531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).