methyl 4-amino-1-methylpyrazole-3-carboxylate;hydrochloride

C6H10ClN3O2 — CID 45156285

IUPACmethyl 4-amino-1-methylpyrazole-3-carboxylate;hydrochloride
SMILESCOC(=O)c1nn(C)cc1N.Cl
InChIInChI=1S/C6H9N3O2.ClH/c1-9-3-4(7)5(8-9)6(10)11-2;/h3H,7H2,1-2H3;1H
InChIKeyLUSFLIUWVHQEFL-UHFFFAOYSA-N
MW191.62 g/mol
LogP0.21
Rot. Bonds1

About methyl 4-amino-1-methylpyrazole-3-carboxylate;hydrochloride

methyl 4-amino-1-methylpyrazole-3-carboxylate;hydrochloride (PubChem CID 45156285) has the molecular formula C6H10ClN3O2 and a molecular weight of 191.62 g/mol. Its IUPAC name is methyl 4-amino-1-methylpyrazole-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-amino-1-methylpyrazole-3-carboxylate;hydrochloride
PubChem CID45156285
Molecular FormulaC6H10ClN3O2
Molecular Weight191.62 g/mol
Exact Mass191.05
IUPAC Namemethyl 4-amino-1-methylpyrazole-3-carboxylate;hydrochloride
SMILESCOC(=O)c1nn(C)cc1N.Cl
InChIInChI=1S/C6H9N3O2.ClH/c1-9-3-4(7)5(8-9)6(10)11-2;/h3H,7H2,1-2H3;1H
InChIKeyLUSFLIUWVHQEFL-UHFFFAOYSA-N
XLogP0.21
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-methylpyrazole-3-carboxylate;hydrochloride?
The IUPAC name of methyl 4-amino-1-methylpyrazole-3-carboxylate;hydrochloride (CID 45156285) is methyl 4-amino-1-methylpyrazole-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-amino-1-methylpyrazole-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-amino-1-methylpyrazole-3-carboxylate;hydrochloride is COC(=O)c1nn(C)cc1N.Cl.
What is the InChIKey of methyl 4-amino-1-methylpyrazole-3-carboxylate;hydrochloride?
The InChIKey is LUSFLIUWVHQEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2.ClH/c1-9-3-4(7)5(8-9)6(10)11-2;/h3H,7H2,1-2H3;1H.
What are the key properties of methyl 4-amino-1-methylpyrazole-3-carboxylate;hydrochloride?
methyl 4-amino-1-methylpyrazole-3-carboxylate;hydrochloride has a molecular weight of 191.62 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-methylpyrazole-3-carboxylate;hydrochloride is sourced from PubChem (CID 45156285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).