ethyl 2-amino-3-(4-bromo-1-ethylpyrazol-3-yl)propanoate

C10H16BrN3O2 — CID 170885477

IUPACethyl 2-amino-3-(4-bromo-1-ethylpyrazol-3-yl)propanoate
SMILESCCOC(=O)C(N)Cc1nn(CC)cc1Br
InChIInChI=1S/C10H16BrN3O2/c1-3-14-6-7(11)9(13-14)5-8(12)10(15)16-4-2/h6,8H,3-5,12H2,1-2H3
InChIKeyQIXMQYUUOTUEOM-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.10
Rot. Bonds5

About ethyl 2-amino-3-(4-bromo-1-ethylpyrazol-3-yl)propanoate

ethyl 2-amino-3-(4-bromo-1-ethylpyrazol-3-yl)propanoate (PubChem CID 170885477) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is ethyl 2-amino-3-(4-bromo-1-ethylpyrazol-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(4-bromo-1-ethylpyrazol-3-yl)propanoate
PubChem CID170885477
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Nameethyl 2-amino-3-(4-bromo-1-ethylpyrazol-3-yl)propanoate
SMILESCCOC(=O)C(N)Cc1nn(CC)cc1Br
InChIInChI=1S/C10H16BrN3O2/c1-3-14-6-7(11)9(13-14)5-8(12)10(15)16-4-2/h6,8H,3-5,12H2,1-2H3
InChIKeyQIXMQYUUOTUEOM-UHFFFAOYSA-N
XLogP1.10
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-3-(4-chloro-1-methylpyrazol-3-yl)propanoate
CID 170884718
ethyl 2-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanoate
CID 83441099
ethyl 2-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 66518191
ethyl 2-amino-3-(2-bromophenyl)propanoate
CID 3302448
2-[4-bromo-1-(1-ethoxy-3-methyl-1-oxobutan-2-yl)pyrazol-3-yl]acetic acid
CID 176976852
ethyl 2-amino-3-(2-bromo-1,3-thiazol-5-yl)propanoate
CID 170884990
4-bromo-1-ethylpyrazole-3-carbaldehyde
CID 7019416
ethyl 2-amino-3-(2-bromo-5-hydroxyphenyl)propanoate
CID 170884939
ethyl 2-amino-3-(3-bromo-4-chloro-5-methylphenyl)propanoate
CID 68591414
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559
ethyl 2-amino-3-(3-bromo-5-methylphenyl)propanoate
CID 5109385
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19333218

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(4-bromo-1-ethylpyrazol-3-yl)propanoate?
The IUPAC name of ethyl 2-amino-3-(4-bromo-1-ethylpyrazol-3-yl)propanoate (CID 170885477) is ethyl 2-amino-3-(4-bromo-1-ethylpyrazol-3-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(4-bromo-1-ethylpyrazol-3-yl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(4-bromo-1-ethylpyrazol-3-yl)propanoate is CCOC(=O)C(N)Cc1nn(CC)cc1Br.
What is the InChIKey of ethyl 2-amino-3-(4-bromo-1-ethylpyrazol-3-yl)propanoate?
The InChIKey is QIXMQYUUOTUEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-3-14-6-7(11)9(13-14)5-8(12)10(15)16-4-2/h6,8H,3-5,12H2,1-2H3.
What are the key properties of ethyl 2-amino-3-(4-bromo-1-ethylpyrazol-3-yl)propanoate?
ethyl 2-amino-3-(4-bromo-1-ethylpyrazol-3-yl)propanoate has a molecular weight of 290.16 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(4-bromo-1-ethylpyrazol-3-yl)propanoate is sourced from PubChem (CID 170885477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).