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

C8H13N3O2 — CID 43663439

IUPACmethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate
SMILESCOC(=O)CNCc1cn[nH]c1C
InChIInChI=1S/C8H13N3O2/c1-6-7(4-10-11-6)3-9-5-8(12)13-2/h4,9H,3,5H2,1-2H3,(H,10,11)
InChIKeyNLQKHRMMHZEFHL-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.02
Rot. Bonds4

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

methyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate (PubChem CID 43663439) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is methyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate
PubChem CID43663439
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Namemethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate
SMILESCOC(=O)CNCc1cn[nH]c1C
InChIInChI=1S/C8H13N3O2/c1-6-7(4-10-11-6)3-9-5-8(12)13-2/h4,9H,3,5H2,1-2H3,(H,10,11)
InChIKeyNLQKHRMMHZEFHL-UHFFFAOYSA-N
XLogP-0.02
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate?
The IUPAC name of methyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate (CID 43663439) is methyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate.
What is the SMILES notation for methyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate?
The canonical SMILES for methyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate is COC(=O)CNCc1cn[nH]c1C.
What is the InChIKey of methyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate?
The InChIKey is NLQKHRMMHZEFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6-7(4-10-11-6)3-9-5-8(12)13-2/h4,9H,3,5H2,1-2H3,(H,10,11).
What are the key properties of methyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate?
methyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate has a molecular weight of 183.21 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetate is sourced from PubChem (CID 43663439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).