ethyl 3-amino-1-methylpyrazole-5-carboxylate

C7H11N3O2 — CID 13248994

IUPACethyl 3-amino-1-methylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(N)nn1C
InChIInChI=1S/C7H11N3O2/c1-3-12-7(11)5-4-6(8)9-10(5)2/h4H,3H2,1-2H3,(H2,8,9)
InChIKeyAVAANYHFUXNOPC-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.18
Rot. Bonds2

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

ethyl 3-amino-1-methylpyrazole-5-carboxylate (PubChem CID 13248994) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is ethyl 3-amino-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-1-methylpyrazole-5-carboxylate
PubChem CID13248994
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Nameethyl 3-amino-1-methylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(N)nn1C
InChIInChI=1S/C7H11N3O2/c1-3-12-7(11)5-4-6(8)9-10(5)2/h4H,3H2,1-2H3,(H2,8,9)
InChIKeyAVAANYHFUXNOPC-UHFFFAOYSA-N
XLogP0.18
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-1-methylpyrazole-5-carboxylate?
The IUPAC name of ethyl 3-amino-1-methylpyrazole-5-carboxylate (CID 13248994) is ethyl 3-amino-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-amino-1-methylpyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-amino-1-methylpyrazole-5-carboxylate is CCOC(=O)c1cc(N)nn1C.
What is the InChIKey of ethyl 3-amino-1-methylpyrazole-5-carboxylate?
The InChIKey is AVAANYHFUXNOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-3-12-7(11)5-4-6(8)9-10(5)2/h4H,3H2,1-2H3,(H2,8,9).
What are the key properties of ethyl 3-amino-1-methylpyrazole-5-carboxylate?
ethyl 3-amino-1-methylpyrazole-5-carboxylate has a molecular weight of 169.18 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 13248994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).