methyl 2-(1H-pyrazol-5-ylmethylamino)acetate

C7H11N3O2 — CID 43662239

IUPACmethyl 2-(1H-pyrazol-5-ylmethylamino)acetate
SMILESCOC(=O)CNCc1ccn[nH]1
InChIInChI=1S/C7H11N3O2/c1-12-7(11)5-8-4-6-2-3-9-10-6/h2-3,8H,4-5H2,1H3,(H,9,10)
InChIKeyQJPWBGVQYQDVTB-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.33
Rot. Bonds4

About methyl 2-(1H-pyrazol-5-ylmethylamino)acetate

methyl 2-(1H-pyrazol-5-ylmethylamino)acetate (PubChem CID 43662239) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is methyl 2-(1H-pyrazol-5-ylmethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(1H-pyrazol-5-ylmethylamino)acetate
PubChem CID43662239
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Namemethyl 2-(1H-pyrazol-5-ylmethylamino)acetate
SMILESCOC(=O)CNCc1ccn[nH]1
InChIInChI=1S/C7H11N3O2/c1-12-7(11)5-8-4-6-2-3-9-10-6/h2-3,8H,4-5H2,1H3,(H,9,10)
InChIKeyQJPWBGVQYQDVTB-UHFFFAOYSA-N
XLogP-0.33
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-pyrazol-5-ylmethylamino)acetate?
The IUPAC name of methyl 2-(1H-pyrazol-5-ylmethylamino)acetate (CID 43662239) is methyl 2-(1H-pyrazol-5-ylmethylamino)acetate.
What is the SMILES notation for methyl 2-(1H-pyrazol-5-ylmethylamino)acetate?
The canonical SMILES for methyl 2-(1H-pyrazol-5-ylmethylamino)acetate is COC(=O)CNCc1ccn[nH]1.
What is the InChIKey of methyl 2-(1H-pyrazol-5-ylmethylamino)acetate?
The InChIKey is QJPWBGVQYQDVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-12-7(11)5-8-4-6-2-3-9-10-6/h2-3,8H,4-5H2,1H3,(H,9,10).
What are the key properties of methyl 2-(1H-pyrazol-5-ylmethylamino)acetate?
methyl 2-(1H-pyrazol-5-ylmethylamino)acetate has a molecular weight of 169.18 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-pyrazol-5-ylmethylamino)acetate is sourced from PubChem (CID 43662239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).