ethyl 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]acetate

C9H16N4O2 — CID 60812243

IUPACethyl 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]acetate
SMILESCCOC(=O)CNc1c(N)c(C)nn1C
InChIInChI=1S/C9H16N4O2/c1-4-15-7(14)5-11-9-8(10)6(2)12-13(9)3/h11H,4-5,10H2,1-3H3
InChIKeyCXUKFWMOEHNQRT-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.29
Rot. Bonds4

About ethyl 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]acetate

ethyl 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]acetate (PubChem CID 60812243) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethyl 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]acetate
PubChem CID60812243
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Nameethyl 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]acetate
SMILESCCOC(=O)CNc1c(N)c(C)nn1C
InChIInChI=1S/C9H16N4O2/c1-4-15-7(14)5-11-9-8(10)6(2)12-13(9)3/h11H,4-5,10H2,1-3H3
InChIKeyCXUKFWMOEHNQRT-UHFFFAOYSA-N
XLogP0.29
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]acetate?
The IUPAC name of ethyl 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]acetate (CID 60812243) is ethyl 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]acetate is CCOC(=O)CNc1c(N)c(C)nn1C.
What is the InChIKey of ethyl 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]acetate?
The InChIKey is CXUKFWMOEHNQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-4-15-7(14)5-11-9-8(10)6(2)12-13(9)3/h11H,4-5,10H2,1-3H3.
What are the key properties of ethyl 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]acetate?
ethyl 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]acetate has a molecular weight of 212.25 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]acetate is sourced from PubChem (CID 60812243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).