2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanamine

C7H12BrN3 — CID 19616349

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanamine
SMILESCc1nn(CCN)c(C)c1Br
InChIInChI=1S/C7H12BrN3/c1-5-7(8)6(2)11(10-5)4-3-9/h3-4,9H2,1-2H3
InChIKeyKPBFPJMTSMYSIP-UHFFFAOYSA-N
MW218.10 g/mol
LogP1.22
Rot. Bonds2

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanamine

2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanamine (PubChem CID 19616349) has the molecular formula C7H12BrN3 and a molecular weight of 218.10 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanamine
PubChem CID19616349
Molecular FormulaC7H12BrN3
Molecular Weight218.10 g/mol
Exact Mass217.02
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanamine
SMILESCc1nn(CCN)c(C)c1Br
InChIInChI=1S/C7H12BrN3/c1-5-7(8)6(2)11(10-5)4-3-9/h3-4,9H2,1-2H3
InChIKeyKPBFPJMTSMYSIP-UHFFFAOYSA-N
XLogP1.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.10
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine;hydrochloride
CID 90486278
2-(4-bromo-5-ethyl-3-methylpyrazol-1-yl)ethanamine
CID 83645056
4-bromo-3,5-dimethyl-1-(2-methylsulfanylethyl)pyrazole
CID 115773469
4-bromo-1-decyl-3,5-dimethylpyrazole
CID 63428341
4-bromo-1-(3-ethylsulfanylpropyl)-3,5-dimethylpyrazole
CID 115651017
3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoate
CID 4753296
5-(4-bromo-3,5-dimethylpyrazol-1-yl)pentanoic acid
CID 62129898
N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]cyclopropanamine
CID 62130109
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,3-dimethylpyrazol-5-amine
CID 55045198
2-(7-bromo-3-methylindazol-2-yl)ethanamine
CID 84729164
4-bromo-3,5-dimethyl-1-(2-pyrazol-1-ylethyl)pyrazole
CID 62129090
N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine
CID 62565845

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanamine?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanamine (CID 19616349) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanamine is Cc1nn(CCN)c(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanamine?
The InChIKey is KPBFPJMTSMYSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrN3/c1-5-7(8)6(2)11(10-5)4-3-9/h3-4,9H2,1-2H3.
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanamine?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanamine has a molecular weight of 218.10 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 19616349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).