methyl 2-amino-2-(1-methylpyrazol-3-yl)acetate;hydrochloride

C7H12ClN3O2 — CID 75494262

IUPACmethyl 2-amino-2-(1-methylpyrazol-3-yl)acetate;hydrochloride
SMILESCOC(=O)C(N)c1ccn(C)n1.Cl
InChIInChI=1S/C7H11N3O2.ClH/c1-10-4-3-5(9-10)6(8)7(11)12-2;/h3-4,6H,8H2,1-2H3;1H
InChIKeyWJMISEPYYOBQOD-UHFFFAOYSA-N
MW205.65 g/mol
LogP0.01
Rot. Bonds2

About methyl 2-amino-2-(1-methylpyrazol-3-yl)acetate;hydrochloride

methyl 2-amino-2-(1-methylpyrazol-3-yl)acetate;hydrochloride (PubChem CID 75494262) has the molecular formula C7H12ClN3O2 and a molecular weight of 205.65 g/mol. Its IUPAC name is methyl 2-amino-2-(1-methylpyrazol-3-yl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-2-(1-methylpyrazol-3-yl)acetate;hydrochloride
PubChem CID75494262
Molecular FormulaC7H12ClN3O2
Molecular Weight205.65 g/mol
Exact Mass205.06
IUPAC Namemethyl 2-amino-2-(1-methylpyrazol-3-yl)acetate;hydrochloride
SMILESCOC(=O)C(N)c1ccn(C)n1.Cl
InChIInChI=1S/C7H11N3O2.ClH/c1-10-4-3-5(9-10)6(8)7(11)12-2;/h3-4,6H,8H2,1-2H3;1H
InChIKeyWJMISEPYYOBQOD-UHFFFAOYSA-N
XLogP0.01
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(1-methylpyrazol-3-yl)acetate;hydrochloride?
The IUPAC name of methyl 2-amino-2-(1-methylpyrazol-3-yl)acetate;hydrochloride (CID 75494262) is methyl 2-amino-2-(1-methylpyrazol-3-yl)acetate;hydrochloride.
What is the SMILES notation for methyl 2-amino-2-(1-methylpyrazol-3-yl)acetate;hydrochloride?
The canonical SMILES for methyl 2-amino-2-(1-methylpyrazol-3-yl)acetate;hydrochloride is COC(=O)C(N)c1ccn(C)n1.Cl.
What is the InChIKey of methyl 2-amino-2-(1-methylpyrazol-3-yl)acetate;hydrochloride?
The InChIKey is WJMISEPYYOBQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2.ClH/c1-10-4-3-5(9-10)6(8)7(11)12-2;/h3-4,6H,8H2,1-2H3;1H.
What are the key properties of methyl 2-amino-2-(1-methylpyrazol-3-yl)acetate;hydrochloride?
methyl 2-amino-2-(1-methylpyrazol-3-yl)acetate;hydrochloride has a molecular weight of 205.65 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(1-methylpyrazol-3-yl)acetate;hydrochloride is sourced from PubChem (CID 75494262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).