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

C8H14ClN3O2 — CID 54592896

IUPACmethyl 2-[(1-methylpyrazol-4-yl)methylamino]acetate;hydrochloride
SMILESCOC(=O)CNCc1cnn(C)c1.Cl
InChIInChI=1S/C8H13N3O2.ClH/c1-11-6-7(4-10-11)3-9-5-8(12)13-2;/h4,6,9H,3,5H2,1-2H3;1H
InChIKeyMUUYQKIDSNEZCB-UHFFFAOYSA-N
MW219.67 g/mol
LogP0.10
Rot. Bonds4

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

methyl 2-[(1-methylpyrazol-4-yl)methylamino]acetate;hydrochloride (PubChem CID 54592896) has the molecular formula C8H14ClN3O2 and a molecular weight of 219.67 g/mol. Its IUPAC name is methyl 2-[(1-methylpyrazol-4-yl)methylamino]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[(1-methylpyrazol-4-yl)methylamino]acetate;hydrochloride
PubChem CID54592896
Molecular FormulaC8H14ClN3O2
Molecular Weight219.67 g/mol
Exact Mass219.08
IUPAC Namemethyl 2-[(1-methylpyrazol-4-yl)methylamino]acetate;hydrochloride
SMILESCOC(=O)CNCc1cnn(C)c1.Cl
InChIInChI=1S/C8H13N3O2.ClH/c1-11-6-7(4-10-11)3-9-5-8(12)13-2;/h4,6,9H,3,5H2,1-2H3;1H
InChIKeyMUUYQKIDSNEZCB-UHFFFAOYSA-N
XLogP0.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 50.10
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;hydrochloride?
The IUPAC name of methyl 2-[(1-methylpyrazol-4-yl)methylamino]acetate;hydrochloride (CID 54592896) is methyl 2-[(1-methylpyrazol-4-yl)methylamino]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[(1-methylpyrazol-4-yl)methylamino]acetate;hydrochloride?
The canonical SMILES for methyl 2-[(1-methylpyrazol-4-yl)methylamino]acetate;hydrochloride is COC(=O)CNCc1cnn(C)c1.Cl.
What is the InChIKey of methyl 2-[(1-methylpyrazol-4-yl)methylamino]acetate;hydrochloride?
The InChIKey is MUUYQKIDSNEZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2.ClH/c1-11-6-7(4-10-11)3-9-5-8(12)13-2;/h4,6,9H,3,5H2,1-2H3;1H.
What are the key properties of methyl 2-[(1-methylpyrazol-4-yl)methylamino]acetate;hydrochloride?
methyl 2-[(1-methylpyrazol-4-yl)methylamino]acetate;hydrochloride has a molecular weight of 219.67 g/mol, XLogP of 0.10, 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;hydrochloride is sourced from PubChem (CID 54592896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).