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

C6H9N3O2 — CID 15152495

IUPACmethyl 1-amino-5-methylpyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(N)c1C
InChIInChI=1S/C6H9N3O2/c1-4-5(6(10)11-2)3-8-9(4)7/h3H,7H2,1-2H3
InChIKeyXTXXNBMPJCQSOX-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.31
Rot. Bonds1

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

methyl 1-amino-5-methylpyrazole-4-carboxylate (PubChem CID 15152495) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is methyl 1-amino-5-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-5-methylpyrazole-4-carboxylate
PubChem CID15152495
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Namemethyl 1-amino-5-methylpyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(N)c1C
InChIInChI=1S/C6H9N3O2/c1-4-5(6(10)11-2)3-8-9(4)7/h3H,7H2,1-2H3
InChIKeyXTXXNBMPJCQSOX-UHFFFAOYSA-N
XLogP-0.31
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 ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-5-methylpyrazole-4-carboxylate?
The IUPAC name of methyl 1-amino-5-methylpyrazole-4-carboxylate (CID 15152495) is methyl 1-amino-5-methylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 1-amino-5-methylpyrazole-4-carboxylate?
The canonical SMILES for methyl 1-amino-5-methylpyrazole-4-carboxylate is COC(=O)c1cnn(N)c1C.
What is the InChIKey of methyl 1-amino-5-methylpyrazole-4-carboxylate?
The InChIKey is XTXXNBMPJCQSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-4-5(6(10)11-2)3-8-9(4)7/h3H,7H2,1-2H3.
What are the key properties of methyl 1-amino-5-methylpyrazole-4-carboxylate?
methyl 1-amino-5-methylpyrazole-4-carboxylate has a molecular weight of 155.16 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-5-methylpyrazole-4-carboxylate is sourced from PubChem (CID 15152495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).