ethyl 2-(methylamino)-2-(5-methyl-1H-pyrazol-4-yl)acetate

C9H15N3O2 — CID 83444947

IUPACethyl 2-(methylamino)-2-(5-methyl-1H-pyrazol-4-yl)acetate
SMILESCCOC(=O)C(NC)c1cn[nH]c1C
InChIInChI=1S/C9H15N3O2/c1-4-14-9(13)8(10-3)7-5-11-12-6(7)2/h5,8,10H,4H2,1-3H3,(H,11,12)
InChIKeyRHEOXUOFJTVNID-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.54
Rot. Bonds4

About ethyl 2-(methylamino)-2-(5-methyl-1H-pyrazol-4-yl)acetate

ethyl 2-(methylamino)-2-(5-methyl-1H-pyrazol-4-yl)acetate (PubChem CID 83444947) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is ethyl 2-(methylamino)-2-(5-methyl-1H-pyrazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(methylamino)-2-(5-methyl-1H-pyrazol-4-yl)acetate
PubChem CID83444947
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Nameethyl 2-(methylamino)-2-(5-methyl-1H-pyrazol-4-yl)acetate
SMILESCCOC(=O)C(NC)c1cn[nH]c1C
InChIInChI=1S/C9H15N3O2/c1-4-14-9(13)8(10-3)7-5-11-12-6(7)2/h5,8,10H,4H2,1-3H3,(H,11,12)
InChIKeyRHEOXUOFJTVNID-UHFFFAOYSA-N
XLogP0.54
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylamino)-2-(5-methyl-1H-pyrazol-4-yl)acetate?
The IUPAC name of ethyl 2-(methylamino)-2-(5-methyl-1H-pyrazol-4-yl)acetate (CID 83444947) is ethyl 2-(methylamino)-2-(5-methyl-1H-pyrazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(methylamino)-2-(5-methyl-1H-pyrazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(methylamino)-2-(5-methyl-1H-pyrazol-4-yl)acetate is CCOC(=O)C(NC)c1cn[nH]c1C.
What is the InChIKey of ethyl 2-(methylamino)-2-(5-methyl-1H-pyrazol-4-yl)acetate?
The InChIKey is RHEOXUOFJTVNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-4-14-9(13)8(10-3)7-5-11-12-6(7)2/h5,8,10H,4H2,1-3H3,(H,11,12).
What are the key properties of ethyl 2-(methylamino)-2-(5-methyl-1H-pyrazol-4-yl)acetate?
ethyl 2-(methylamino)-2-(5-methyl-1H-pyrazol-4-yl)acetate has a molecular weight of 197.24 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylamino)-2-(5-methyl-1H-pyrazol-4-yl)acetate is sourced from PubChem (CID 83444947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).