3-(4-bromo-2-fluorophenyl)-1-ethylpyrazol-4-amine

C11H11BrFN3 — CID 83216680

IUPAC3-(4-bromo-2-fluorophenyl)-1-ethylpyrazol-4-amine
SMILESCCn1cc(N)c(-c2ccc(Br)cc2F)n1
InChIInChI=1S/C11H11BrFN3/c1-2-16-6-10(14)11(15-16)8-4-3-7(12)5-9(8)13/h3-6H,2,14H2,1H3
InChIKeyLFQXPBPSGUVPLL-UHFFFAOYSA-N
MW284.13 g/mol
LogP3.05
Rot. Bonds2

About 3-(4-bromo-2-fluorophenyl)-1-ethylpyrazol-4-amine

3-(4-bromo-2-fluorophenyl)-1-ethylpyrazol-4-amine (PubChem CID 83216680) has the molecular formula C11H11BrFN3 and a molecular weight of 284.13 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenyl)-1-ethylpyrazol-4-amine.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenyl)-1-ethylpyrazol-4-amine
PubChem CID83216680
Molecular FormulaC11H11BrFN3
Molecular Weight284.13 g/mol
Exact Mass283.01
IUPAC Name3-(4-bromo-2-fluorophenyl)-1-ethylpyrazol-4-amine
SMILESCCn1cc(N)c(-c2ccc(Br)cc2F)n1
InChIInChI=1S/C11H11BrFN3/c1-2-16-6-10(14)11(15-16)8-4-3-7(12)5-9(8)13/h3-6H,2,14H2,1H3
InChIKeyLFQXPBPSGUVPLL-UHFFFAOYSA-N
XLogP3.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromo-2-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine
CID 55048064
3-(4-bromo-2-fluorophenyl)-1-phenylpyrazol-4-amine
CID 83216844
3-(4-bromo-2-fluorophenyl)-1-(3-fluorophenyl)pyrazol-4-amine
CID 83204612
3-(4-bromo-2-fluorophenyl)-1-methyl-4-propylpyrazol-5-amine
CID 79405825
1-ethyl-3-naphthalen-1-ylpyrazol-4-amine
CID 83217142
3-(4-bromo-2-fluorophenyl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid
CID 82970535
3-(1,3-dimethylpyrazol-4-yl)-1-ethylpyrazol-4-amine
CID 19621294
5-(4-bromo-2-fluorophenyl)-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine
CID 63467465
1-butyl-3-(2,5-difluoro-4-methylphenyl)pyrazol-4-amine
CID 83222541
3-(3-bromophenyl)-1-propylpyrazol-4-amine
CID 83222234
2-(4-bromo-2-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 63618967
3-(5-bromo-2-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-amine
CID 83205205

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenyl)-1-ethylpyrazol-4-amine?
The IUPAC name of 3-(4-bromo-2-fluorophenyl)-1-ethylpyrazol-4-amine (CID 83216680) is 3-(4-bromo-2-fluorophenyl)-1-ethylpyrazol-4-amine.
What is the SMILES notation for 3-(4-bromo-2-fluorophenyl)-1-ethylpyrazol-4-amine?
The canonical SMILES for 3-(4-bromo-2-fluorophenyl)-1-ethylpyrazol-4-amine is CCn1cc(N)c(-c2ccc(Br)cc2F)n1.
What is the InChIKey of 3-(4-bromo-2-fluorophenyl)-1-ethylpyrazol-4-amine?
The InChIKey is LFQXPBPSGUVPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3/c1-2-16-6-10(14)11(15-16)8-4-3-7(12)5-9(8)13/h3-6H,2,14H2,1H3.
What are the key properties of 3-(4-bromo-2-fluorophenyl)-1-ethylpyrazol-4-amine?
3-(4-bromo-2-fluorophenyl)-1-ethylpyrazol-4-amine has a molecular weight of 284.13 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluorophenyl)-1-ethylpyrazol-4-amine is sourced from PubChem (CID 83216680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).