ethyl (2R)-3-(4-aminopyrazol-1-yl)-2-hydroxypropanoate

C8H13N3O3 — CID 163467197

IUPACethyl (2R)-3-(4-aminopyrazol-1-yl)-2-hydroxypropanoate
SMILESCCOC(=O)[C@H](O)Cn1cc(N)cn1
InChIInChI=1S/C8H13N3O3/c1-2-14-8(13)7(12)5-11-4-6(9)3-10-11/h3-4,7,12H,2,5,9H2,1H3/t7-/m1/s1
InChIKeyBTPAVFCCOYZVHM-SSDOTTSWSA-N
MW199.21 g/mol
LogP-0.61
Rot. Bonds4

About ethyl (2R)-3-(4-aminopyrazol-1-yl)-2-hydroxypropanoate

ethyl (2R)-3-(4-aminopyrazol-1-yl)-2-hydroxypropanoate (PubChem CID 163467197) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is ethyl (2R)-3-(4-aminopyrazol-1-yl)-2-hydroxypropanoate.

Molecular Properties

Compound Nameethyl (2R)-3-(4-aminopyrazol-1-yl)-2-hydroxypropanoate
PubChem CID163467197
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Nameethyl (2R)-3-(4-aminopyrazol-1-yl)-2-hydroxypropanoate
SMILESCCOC(=O)[C@H](O)Cn1cc(N)cn1
InChIInChI=1S/C8H13N3O3/c1-2-14-8(13)7(12)5-11-4-6(9)3-10-11/h3-4,7,12H,2,5,9H2,1H3/t7-/m1/s1
InChIKeyBTPAVFCCOYZVHM-SSDOTTSWSA-N
XLogP-0.61
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-(4-amino-3-methylpyrazol-1-yl)-2-hydroxypropanoate
CID 165472981
1-(4-aminopyrazol-1-yl)-3-methylbutan-2-ol
CID 83529434
1-(2-ethylbutyl)pyrazol-4-amine
CID 56604384
2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-methylamino]acetamide
CID 43373776
2-(4-aminopyrazol-1-yl)-N,N-dipropylacetamide
CID 43445164
2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-ethylamino]-N-methylacetamide
CID 43574922
2-[[3-(4-aminopyrazol-1-yl)-2-hydroxypropyl]-methylamino]-N-methylacetamide
CID 43374449
2-(4-aminopyrazol-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 61116168
nonyl 2-(4-aminopyrazol-1-yl)acetate
CID 61315598
ethyl 4-(4-bromopyrazol-1-yl)-3-hydroxybutanoate
CID 82775509
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-propylpentanamide
CID 82985272
(2S)-3-[4-(3-amino-5-methylphenyl)pyrazol-1-yl]-2-hydroxypropanoic acid
CID 118208721

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-3-(4-aminopyrazol-1-yl)-2-hydroxypropanoate?
The IUPAC name of ethyl (2R)-3-(4-aminopyrazol-1-yl)-2-hydroxypropanoate (CID 163467197) is ethyl (2R)-3-(4-aminopyrazol-1-yl)-2-hydroxypropanoate.
What is the SMILES notation for ethyl (2R)-3-(4-aminopyrazol-1-yl)-2-hydroxypropanoate?
The canonical SMILES for ethyl (2R)-3-(4-aminopyrazol-1-yl)-2-hydroxypropanoate is CCOC(=O)[C@H](O)Cn1cc(N)cn1.
What is the InChIKey of ethyl (2R)-3-(4-aminopyrazol-1-yl)-2-hydroxypropanoate?
The InChIKey is BTPAVFCCOYZVHM-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-2-14-8(13)7(12)5-11-4-6(9)3-10-11/h3-4,7,12H,2,5,9H2,1H3/t7-/m1/s1.
What are the key properties of ethyl (2R)-3-(4-aminopyrazol-1-yl)-2-hydroxypropanoate?
ethyl (2R)-3-(4-aminopyrazol-1-yl)-2-hydroxypropanoate has a molecular weight of 199.21 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-3-(4-aminopyrazol-1-yl)-2-hydroxypropanoate is sourced from PubChem (CID 163467197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).