methyl 2-[(1-methylpyrazol-4-yl)methylamino]acetate

C8H13N3O2 — CID 28600250

IUPACmethyl 2-[(1-methylpyrazol-4-yl)methylamino]acetate
SMILESCOC(=O)CNCc1cnn(C)c1
InChIInChI=1S/C8H13N3O2/c1-11-6-7(4-10-11)3-9-5-8(12)13-2/h4,6,9H,3,5H2,1-2H3
InChIKeyLTNNSRLBJXESFF-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.32
Rot. Bonds4

About methyl 2-[(1-methylpyrazol-4-yl)methylamino]acetate

methyl 2-[(1-methylpyrazol-4-yl)methylamino]acetate (PubChem CID 28600250) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is methyl 2-[(1-methylpyrazol-4-yl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-methylpyrazol-4-yl)methylamino]acetate
PubChem CID28600250
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Namemethyl 2-[(1-methylpyrazol-4-yl)methylamino]acetate
SMILESCOC(=O)CNCc1cnn(C)c1
InChIInChI=1S/C8H13N3O2/c1-11-6-7(4-10-11)3-9-5-8(12)13-2/h4,6,9H,3,5H2,1-2H3
InChIKeyLTNNSRLBJXESFF-UHFFFAOYSA-N
XLogP-0.32
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 ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methylpyrazol-4-yl)methylamino]acetate?
The IUPAC name of methyl 2-[(1-methylpyrazol-4-yl)methylamino]acetate (CID 28600250) is methyl 2-[(1-methylpyrazol-4-yl)methylamino]acetate.
What is the SMILES notation for methyl 2-[(1-methylpyrazol-4-yl)methylamino]acetate?
The canonical SMILES for methyl 2-[(1-methylpyrazol-4-yl)methylamino]acetate is COC(=O)CNCc1cnn(C)c1.
What is the InChIKey of methyl 2-[(1-methylpyrazol-4-yl)methylamino]acetate?
The InChIKey is LTNNSRLBJXESFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-11-6-7(4-10-11)3-9-5-8(12)13-2/h4,6,9H,3,5H2,1-2H3.
What are the key properties of methyl 2-[(1-methylpyrazol-4-yl)methylamino]acetate?
methyl 2-[(1-methylpyrazol-4-yl)methylamino]acetate has a molecular weight of 183.21 g/mol, XLogP of -0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methylpyrazol-4-yl)methylamino]acetate is sourced from PubChem (CID 28600250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).