methyl 5-amino-1-methylpyrazole-4-carboxylate

C6H9N3O2 — CID 15140326

IUPACmethyl 5-amino-1-methylpyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(C)c1N
InChIInChI=1S/C6H9N3O2/c1-9-5(7)4(3-8-9)6(10)11-2/h3H,7H2,1-2H3
InChIKeyUTGQTDLLIDYCAB-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.21
Rot. Bonds1

About methyl 5-amino-1-methylpyrazole-4-carboxylate

methyl 5-amino-1-methylpyrazole-4-carboxylate (PubChem CID 15140326) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is methyl 5-amino-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-methylpyrazole-4-carboxylate
PubChem CID15140326
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Namemethyl 5-amino-1-methylpyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(C)c1N
InChIInChI=1S/C6H9N3O2/c1-9-5(7)4(3-8-9)6(10)11-2/h3H,7H2,1-2H3
InChIKeyUTGQTDLLIDYCAB-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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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-methylpyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-methylpyrazole-4-carboxylate (CID 15140326) is methyl 5-amino-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-methylpyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-methylpyrazole-4-carboxylate is COC(=O)c1cnn(C)c1N.
What is the InChIKey of methyl 5-amino-1-methylpyrazole-4-carboxylate?
The InChIKey is UTGQTDLLIDYCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-9-5(7)4(3-8-9)6(10)11-2/h3H,7H2,1-2H3.
What are the key properties of methyl 5-amino-1-methylpyrazole-4-carboxylate?
methyl 5-amino-1-methylpyrazole-4-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 5-amino-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 15140326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).