ethyl 3-(4-amino-3-methylpyrazol-1-yl)-2-hydroxypropanoate

C9H15N3O3 — CID 165472981

IUPACethyl 3-(4-amino-3-methylpyrazol-1-yl)-2-hydroxypropanoate
SMILESCCOC(=O)C(O)Cn1cc(N)c(C)n1
InChIInChI=1S/C9H15N3O3/c1-3-15-9(14)8(13)5-12-4-7(10)6(2)11-12/h4,8,13H,3,5,10H2,1-2H3
InChIKeyLBWLTFFIOVAPJI-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.30
Rot. Bonds4

About ethyl 3-(4-amino-3-methylpyrazol-1-yl)-2-hydroxypropanoate

ethyl 3-(4-amino-3-methylpyrazol-1-yl)-2-hydroxypropanoate (PubChem CID 165472981) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is ethyl 3-(4-amino-3-methylpyrazol-1-yl)-2-hydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-(4-amino-3-methylpyrazol-1-yl)-2-hydroxypropanoate
PubChem CID165472981
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Nameethyl 3-(4-amino-3-methylpyrazol-1-yl)-2-hydroxypropanoate
SMILESCCOC(=O)C(O)Cn1cc(N)c(C)n1
InChIInChI=1S/C9H15N3O3/c1-3-15-9(14)8(13)5-12-4-7(10)6(2)11-12/h4,8,13H,3,5,10H2,1-2H3
InChIKeyLBWLTFFIOVAPJI-UHFFFAOYSA-N
XLogP-0.30
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (2R)-3-(4-aminopyrazol-1-yl)-2-hydroxypropanoate
CID 163467197
1-(2,4-dimethylpentyl)-3-methylpyrazol-4-amine
CID 165480695
ethyl 4-amino-1-(2-methylbutyl)pyrazole-3-carboxylate
CID 107344838
ethyl 4-(4-chloro-3-methylpyrazol-1-yl)-3-hydroxybutanoate
CID 82776989
ethyl 3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate
CID 23088347
ethyl 4-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrazole-3-carboxylate
CID 107345022
ethyl (2R)-3-(4-cyanoimidazol-1-yl)-2-hydroxypropanoate
CID 155660298
ethyl 3-[4-(3,4-dimethoxyphenyl)triazol-1-yl]-2-hydroxypropanoate
CID 165488718
ethyl 4-amino-1-pentylpyrazole-3-carboxylate
CID 107344874
1-(2-fluoroethyl)-3-methylpyrazol-4-amine
CID 86207976
2-(4-amino-3-methylpyrazol-1-yl)butanoic acid
CID 165480611
1-(2,2-dimethylbutyl)-3-methylpyrazol-4-amine
CID 165479986

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-amino-3-methylpyrazol-1-yl)-2-hydroxypropanoate?
The IUPAC name of ethyl 3-(4-amino-3-methylpyrazol-1-yl)-2-hydroxypropanoate (CID 165472981) is ethyl 3-(4-amino-3-methylpyrazol-1-yl)-2-hydroxypropanoate.
What is the SMILES notation for ethyl 3-(4-amino-3-methylpyrazol-1-yl)-2-hydroxypropanoate?
The canonical SMILES for ethyl 3-(4-amino-3-methylpyrazol-1-yl)-2-hydroxypropanoate is CCOC(=O)C(O)Cn1cc(N)c(C)n1.
What is the InChIKey of ethyl 3-(4-amino-3-methylpyrazol-1-yl)-2-hydroxypropanoate?
The InChIKey is LBWLTFFIOVAPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-3-15-9(14)8(13)5-12-4-7(10)6(2)11-12/h4,8,13H,3,5,10H2,1-2H3.
What are the key properties of ethyl 3-(4-amino-3-methylpyrazol-1-yl)-2-hydroxypropanoate?
ethyl 3-(4-amino-3-methylpyrazol-1-yl)-2-hydroxypropanoate has a molecular weight of 213.24 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-amino-3-methylpyrazol-1-yl)-2-hydroxypropanoate is sourced from PubChem (CID 165472981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).