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

C9H15N3O2 — CID 60811885

IUPACethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate
SMILESCCOC(=O)CNCc1cn[nH]c1C
InChIInChI=1S/C9H15N3O2/c1-3-14-9(13)6-10-4-8-5-11-12-7(8)2/h5,10H,3-4,6H2,1-2H3,(H,11,12)
InChIKeyGIGDIWCHBKCBKK-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.37
Rot. Bonds5

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

ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate (PubChem CID 60811885) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate
PubChem CID60811885
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Nameethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate
SMILESCCOC(=O)CNCc1cn[nH]c1C
InChIInChI=1S/C9H15N3O2/c1-3-14-9(13)6-10-4-8-5-11-12-7(8)2/h5,10H,3-4,6H2,1-2H3,(H,11,12)
InChIKeyGIGDIWCHBKCBKK-UHFFFAOYSA-N
XLogP0.37
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate?
The IUPAC name of ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate (CID 60811885) is ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate?
The canonical SMILES for ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate is CCOC(=O)CNCc1cn[nH]c1C.
What is the InChIKey of ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate?
The InChIKey is GIGDIWCHBKCBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-14-9(13)6-10-4-8-5-11-12-7(8)2/h5,10H,3-4,6H2,1-2H3,(H,11,12).
What are the key properties of ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate?
ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate has a molecular weight of 197.24 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate is sourced from PubChem (CID 60811885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).