ethyl 2-[(1-methylpyrazol-3-yl)amino]acetate

C8H13N3O2 — CID 79778560

IUPACethyl 2-[(1-methylpyrazol-3-yl)amino]acetate
SMILESCCOC(=O)CNc1ccn(C)n1
InChIInChI=1S/C8H13N3O2/c1-3-13-8(12)6-9-7-4-5-11(2)10-7/h4-5H,3,6H2,1-2H3,(H,9,10)
InChIKeyQQOHDWLATYHULI-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.40
Rot. Bonds4

About ethyl 2-[(1-methylpyrazol-3-yl)amino]acetate

ethyl 2-[(1-methylpyrazol-3-yl)amino]acetate (PubChem CID 79778560) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is ethyl 2-[(1-methylpyrazol-3-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-methylpyrazol-3-yl)amino]acetate
PubChem CID79778560
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Nameethyl 2-[(1-methylpyrazol-3-yl)amino]acetate
SMILESCCOC(=O)CNc1ccn(C)n1
InChIInChI=1S/C8H13N3O2/c1-3-13-8(12)6-9-7-4-5-11(2)10-7/h4-5H,3,6H2,1-2H3,(H,9,10)
InChIKeyQQOHDWLATYHULI-UHFFFAOYSA-N
XLogP0.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-methylpyrazol-3-yl)amino]acetate?
The IUPAC name of ethyl 2-[(1-methylpyrazol-3-yl)amino]acetate (CID 79778560) is ethyl 2-[(1-methylpyrazol-3-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(1-methylpyrazol-3-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(1-methylpyrazol-3-yl)amino]acetate is CCOC(=O)CNc1ccn(C)n1.
What is the InChIKey of ethyl 2-[(1-methylpyrazol-3-yl)amino]acetate?
The InChIKey is QQOHDWLATYHULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-3-13-8(12)6-9-7-4-5-11(2)10-7/h4-5H,3,6H2,1-2H3,(H,9,10).
What are the key properties of ethyl 2-[(1-methylpyrazol-3-yl)amino]acetate?
ethyl 2-[(1-methylpyrazol-3-yl)amino]acetate has a molecular weight of 183.21 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-methylpyrazol-3-yl)amino]acetate is sourced from PubChem (CID 79778560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).