methyl 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride

C6H10ClN3O2 — CID 66643934

IUPACmethyl 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(N)nn1C.Cl
InChIInChI=1S/C6H9N3O2.ClH/c1-9-4(6(10)11-2)3-5(7)8-9;/h3H,1-2H3,(H2,7,8);1H
InChIKeyZXNGHPNULYJKMI-UHFFFAOYSA-N
MW191.62 g/mol
LogP0.21
Rot. Bonds1

About methyl 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride

methyl 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride (PubChem CID 66643934) has the molecular formula C6H10ClN3O2 and a molecular weight of 191.62 g/mol. Its IUPAC name is methyl 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride
PubChem CID66643934
Molecular FormulaC6H10ClN3O2
Molecular Weight191.62 g/mol
Exact Mass191.05
IUPAC Namemethyl 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(N)nn1C.Cl
InChIInChI=1S/C6H9N3O2.ClH/c1-9-4(6(10)11-2)3-5(7)8-9;/h3H,1-2H3,(H2,7,8);1H
InChIKeyZXNGHPNULYJKMI-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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Related Compounds

methyl 3-amino-1-methyl-1H-pyrazole-5-carboxylate
CID 13248993
methyl 1-methyl-1H-pyrazole-5-carboxylate
CID 7017174
3-amino-1-methyl-1H-pyrazole-5-carboxylic acid
CID 5325687
5-amino-1-methyl-1H-pyrazole-3-carboxylic acid
CID 5325688
methyl 5-amino-1-methyl-1H-pyrazole-3-carboxylate
CID 13324840
ethyl 5-amino-1-methyl-1H-pyrazole-3-carboxylate
CID 14877880
ethyl 3-amino-1-methyl-1H-pyrazole-5-carboxylate hydrochloride
CID 45156843
methyl 5-fluoro-1-methyl-1H-pyrazole-3-carboxylate
CID 121552481
methyl 4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 137174733
Ethyl 3-amino-1-methyl-1H-pyrazole-5-carboxylate
CID 13248994
3-O-ethyl 1-O-methyl 5-aminopyrazole-1,3-dicarboxylate
CID 11287330
Methyl 3-chloro-1-methyl-1H-pyrazole-5-carboxylate
CID 67209478

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride?
The IUPAC name of methyl 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride (CID 66643934) is methyl 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride.
What is the SMILES notation for methyl 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride?
The canonical SMILES for methyl 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride is COC(=O)c1cc(N)nn1C.Cl.
What is the InChIKey of methyl 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride?
The InChIKey is ZXNGHPNULYJKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2.ClH/c1-9-4(6(10)11-2)3-5(7)8-9;/h3H,1-2H3,(H2,7,8);1H.
What are the key properties of methyl 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride?
methyl 3-amino-1-methylpyrazole-5-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 3-amino-1-methylpyrazole-5-carboxylate;hydrochloride is sourced from PubChem (CID 66643934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).