2-hydroxyethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate

C9H15N3O3 — CID 61322565

IUPAC2-hydroxyethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
SMILESCc1nn(CC(=O)OCCO)c(C)c1N
InChIInChI=1S/C9H15N3O3/c1-6-9(10)7(2)12(11-6)5-8(14)15-4-3-13/h13H,3-5,10H2,1-2H3
InChIKeyNOBKWHIXSJTCDN-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.38
Rot. Bonds4

About 2-hydroxyethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate

2-hydroxyethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate (PubChem CID 61322565) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-hydroxyethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate.

Molecular Properties

Compound Name2-hydroxyethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
PubChem CID61322565
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-hydroxyethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
SMILESCc1nn(CC(=O)OCCO)c(C)c1N
InChIInChI=1S/C9H15N3O3/c1-6-9(10)7(2)12(11-6)5-8(14)15-4-3-13/h13H,3-5,10H2,1-2H3
InChIKeyNOBKWHIXSJTCDN-UHFFFAOYSA-N
XLogP-0.38
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 ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(methylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61321425
2-(diethylamino)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61322941
4-cyanobutyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 54966380
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61320656
2-(2-methylimidazol-1-yl)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61493923
cyclobutylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 65459981
methyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate
CID 43445168
(4-methoxyphenyl)methyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61309101
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61321043
(1-amino-1-oxobutan-2-yl) 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 62900452
[1-(ethylamino)-1-oxopropan-2-yl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61323327
1-phenylethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61310438

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The IUPAC name of 2-hydroxyethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate (CID 61322565) is 2-hydroxyethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate.
What is the SMILES notation for 2-hydroxyethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The canonical SMILES for 2-hydroxyethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate is Cc1nn(CC(=O)OCCO)c(C)c1N.
What is the InChIKey of 2-hydroxyethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The InChIKey is NOBKWHIXSJTCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-6-9(10)7(2)12(11-6)5-8(14)15-4-3-13/h13H,3-5,10H2,1-2H3.
What are the key properties of 2-hydroxyethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
2-hydroxyethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate has a molecular weight of 213.24 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate is sourced from PubChem (CID 61322565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).