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

C6H9N3O2 — CID 13248993

IUPACmethyl 3-amino-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1cc(N)nn1C
InChIInChI=1S/C6H9N3O2/c1-9-4(6(10)11-2)3-5(7)8-9/h3H,1-2H3,(H2,7,8)
InChIKeyIPYMLHZUKGMYTP-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.21
Rot. Bonds1

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

methyl 3-amino-1-methylpyrazole-5-carboxylate (PubChem CID 13248993) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is methyl 3-amino-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-1-methylpyrazole-5-carboxylate
PubChem CID13248993
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Namemethyl 3-amino-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1cc(N)nn1C
InChIInChI=1S/C6H9N3O2/c1-9-4(6(10)11-2)3-5(7)8-9/h3H,1-2H3,(H2,7,8)
InChIKeyIPYMLHZUKGMYTP-UHFFFAOYSA-N
XLogP-0.21
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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 1,3-dimethyl-1H-pyrazole-5-carboxylate
CID 12218441
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 3-amino-1-methyl-1H-pyrazole-5-carboxylate hydrochloride
CID 66643934
methyl 5-fluoro-1-methyl-1H-pyrazole-3-carboxylate
CID 121552481
ethyl 4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 135741928
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

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-1-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 3-amino-1-methylpyrazole-5-carboxylate (CID 13248993) is methyl 3-amino-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-amino-1-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 3-amino-1-methylpyrazole-5-carboxylate is COC(=O)c1cc(N)nn1C.
What is the InChIKey of methyl 3-amino-1-methylpyrazole-5-carboxylate?
The InChIKey is IPYMLHZUKGMYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-9-4(6(10)11-2)3-5(7)8-9/h3H,1-2H3,(H2,7,8).
What are the key properties of methyl 3-amino-1-methylpyrazole-5-carboxylate?
methyl 3-amino-1-methylpyrazole-5-carboxylate has a molecular weight of 155.16 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 is sourced from PubChem (CID 13248993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).