ethyl 2-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanoate

C9H14BrN3O2 — CID 83441099

IUPACethyl 2-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanoate
SMILESCCOC(=O)C(N)Cc1c(Br)cnn1C
InChIInChI=1S/C9H14BrN3O2/c1-3-15-9(14)7(11)4-8-6(10)5-12-13(8)2/h5,7H,3-4,11H2,1-2H3
InChIKeyYTWLMQJUEQTEGC-UHFFFAOYSA-N
MW276.13 g/mol
LogP0.62
Rot. Bonds4

About ethyl 2-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanoate

ethyl 2-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanoate (PubChem CID 83441099) has the molecular formula C9H14BrN3O2 and a molecular weight of 276.13 g/mol. Its IUPAC name is ethyl 2-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanoate
PubChem CID83441099
Molecular FormulaC9H14BrN3O2
Molecular Weight276.13 g/mol
Exact Mass275.03
IUPAC Nameethyl 2-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanoate
SMILESCCOC(=O)C(N)Cc1c(Br)cnn1C
InChIInChI=1S/C9H14BrN3O2/c1-3-15-9(14)7(11)4-8-6(10)5-12-13(8)2/h5,7H,3-4,11H2,1-2H3
InChIKeyYTWLMQJUEQTEGC-UHFFFAOYSA-N
XLogP0.62
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-1-amine
CID 83895039
2-amino-1-(4-bromo-1-methylpyrazol-5-yl)hexan-1-one
CID 114668548
ethyl 2-amino-3-(2-bromo-1,3-thiazol-5-yl)propanoate
CID 170884990
ethyl 2-amino-3-(4-bromo-1-ethylpyrazol-3-yl)propanoate
CID 170885477
(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 17024779
1-(4-bromo-1-methylpyrazol-5-yl)pentan-3-one
CID 114663538
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]propanamide
CID 19296614
1-(4-bromo-1-methylpyrazol-5-yl)-2,2-diethoxyethanone
CID 114641403
[1-(4-bromo-1-methylpyrazol-5-yl)-2-methylpropan-2-yl] carbamate
CID 150242419
ethyl 4-bromo-1-butylpyrazole-5-carboxylate
CID 122171224
ethyl 2-amino-3-(1-methylimidazol-2-yl)propanoate
CID 62961673
ethyl 2-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 66518191

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanoate?
The IUPAC name of ethyl 2-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanoate (CID 83441099) is ethyl 2-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanoate is CCOC(=O)C(N)Cc1c(Br)cnn1C.
What is the InChIKey of ethyl 2-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanoate?
The InChIKey is YTWLMQJUEQTEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2/c1-3-15-9(14)7(11)4-8-6(10)5-12-13(8)2/h5,7H,3-4,11H2,1-2H3.
What are the key properties of ethyl 2-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanoate?
ethyl 2-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanoate has a molecular weight of 276.13 g/mol, XLogP of 0.62, 4 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-methylpyrazol-5-yl)propanoate is sourced from PubChem (CID 83441099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).