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

C7H11N3O2 — CID 141165599

IUPACethyl 3-amino-5-methylpyrazole-1-carboxylate
SMILESCCOC(=O)n1nc(N)cc1C
InChIInChI=1S/C7H11N3O2/c1-3-12-7(11)10-5(2)4-6(8)9-10/h4H,3H2,1-2H3,(H2,8,9)
InChIKeyVYMBCJSZNYUCNB-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.78
Rot. Bonds1

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

ethyl 3-amino-5-methylpyrazole-1-carboxylate (PubChem CID 141165599) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is ethyl 3-amino-5-methylpyrazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-methylpyrazole-1-carboxylate
PubChem CID141165599
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Nameethyl 3-amino-5-methylpyrazole-1-carboxylate
SMILESCCOC(=O)n1nc(N)cc1C
InChIInChI=1S/C7H11N3O2/c1-3-12-7(11)10-5(2)4-6(8)9-10/h4H,3H2,1-2H3,(H2,8,9)
InChIKeyVYMBCJSZNYUCNB-UHFFFAOYSA-N
XLogP0.78
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-methylpyrazole-1-carboxylate?
The IUPAC name of ethyl 3-amino-5-methylpyrazole-1-carboxylate (CID 141165599) is ethyl 3-amino-5-methylpyrazole-1-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-methylpyrazole-1-carboxylate?
The canonical SMILES for ethyl 3-amino-5-methylpyrazole-1-carboxylate is CCOC(=O)n1nc(N)cc1C.
What is the InChIKey of ethyl 3-amino-5-methylpyrazole-1-carboxylate?
The InChIKey is VYMBCJSZNYUCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-3-12-7(11)10-5(2)4-6(8)9-10/h4H,3H2,1-2H3,(H2,8,9).
What are the key properties of ethyl 3-amino-5-methylpyrazole-1-carboxylate?
ethyl 3-amino-5-methylpyrazole-1-carboxylate has a molecular weight of 169.18 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-methylpyrazole-1-carboxylate is sourced from PubChem (CID 141165599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).