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

C12H13BrFN3 — CID 117479931

IUPAC4-(3-bromo-5-ethyl-2-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCCc1cc(Br)c(F)c(-c2cnn(C)c2N)c1
InChIInChI=1S/C12H13BrFN3/c1-3-7-4-8(11(14)10(13)5-7)9-6-16-17(2)12(9)15/h4-6H,3,15H2,1-2H3
InChIKeyVCADXALNCDOFJR-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.13
Rot. Bonds2

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

4-(3-bromo-5-ethyl-2-fluorophenyl)-1-methylpyrazol-5-amine (PubChem CID 117479931) has the molecular formula C12H13BrFN3 and a molecular weight of 298.16 g/mol. Its IUPAC name is 4-(3-bromo-5-ethyl-2-fluorophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-bromo-5-ethyl-2-fluorophenyl)-1-methylpyrazol-5-amine
PubChem CID117479931
Molecular FormulaC12H13BrFN3
Molecular Weight298.16 g/mol
Exact Mass297.03
IUPAC Name4-(3-bromo-5-ethyl-2-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCCc1cc(Br)c(F)c(-c2cnn(C)c2N)c1
InChIInChI=1S/C12H13BrFN3/c1-3-7-4-8(11(14)10(13)5-7)9-6-16-17(2)12(9)15/h4-6H,3,15H2,1-2H3
InChIKeyVCADXALNCDOFJR-UHFFFAOYSA-N
XLogP3.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-amino-1-methylpyrazol-4-yl)-6-bromo-4-ethylphenol
CID 117477176
4-(5-ethyl-3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117375989
4-(5-ethyl-2,3-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117331158
4-(3-bromo-4,5-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464596
4-(5-ethyl-2-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117360841
4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine
CID 117428222
4-[5-(fluoromethyl)-2-methylphenyl]-1-methylpyrazol-5-amine
CID 117312379
4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426009
5-(3-bromo-5-ethyl-2-fluorophenyl)-1H-pyrazol-3-amine
CID 117456786
4-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464605
4-(5-ethyl-4-fluoro-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117338339
4-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117499160

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-ethyl-2-fluorophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3-bromo-5-ethyl-2-fluorophenyl)-1-methylpyrazol-5-amine (CID 117479931) is 4-(3-bromo-5-ethyl-2-fluorophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3-bromo-5-ethyl-2-fluorophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3-bromo-5-ethyl-2-fluorophenyl)-1-methylpyrazol-5-amine is CCc1cc(Br)c(F)c(-c2cnn(C)c2N)c1.
What is the InChIKey of 4-(3-bromo-5-ethyl-2-fluorophenyl)-1-methylpyrazol-5-amine?
The InChIKey is VCADXALNCDOFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3/c1-3-7-4-8(11(14)10(13)5-7)9-6-16-17(2)12(9)15/h4-6H,3,15H2,1-2H3.
What are the key properties of 4-(3-bromo-5-ethyl-2-fluorophenyl)-1-methylpyrazol-5-amine?
4-(3-bromo-5-ethyl-2-fluorophenyl)-1-methylpyrazol-5-amine has a molecular weight of 298.16 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-ethyl-2-fluorophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117479931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).