ethyl 3-(methoxymethyl)-5-(methylamino)pyrazole-1-carboxylate

C9H15N3O3 — CID 176977821

IUPACethyl 3-(methoxymethyl)-5-(methylamino)pyrazole-1-carboxylate
SMILESCCOC(=O)n1nc(COC)cc1NC
InChIInChI=1S/C9H15N3O3/c1-4-15-9(13)12-8(10-2)5-7(11-12)6-14-3/h5,10H,4,6H2,1-3H3
InChIKeyYWFZOEDVKPAKIB-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.08
Rot. Bonds4

About ethyl 3-(methoxymethyl)-5-(methylamino)pyrazole-1-carboxylate

ethyl 3-(methoxymethyl)-5-(methylamino)pyrazole-1-carboxylate (PubChem CID 176977821) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is ethyl 3-(methoxymethyl)-5-(methylamino)pyrazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(methoxymethyl)-5-(methylamino)pyrazole-1-carboxylate
PubChem CID176977821
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Nameethyl 3-(methoxymethyl)-5-(methylamino)pyrazole-1-carboxylate
SMILESCCOC(=O)n1nc(COC)cc1NC
InChIInChI=1S/C9H15N3O3/c1-4-15-9(13)12-8(10-2)5-7(11-12)6-14-3/h5,10H,4,6H2,1-3H3
InChIKeyYWFZOEDVKPAKIB-UHFFFAOYSA-N
XLogP1.08
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(methoxymethyl)-5-(methylamino)pyrazole-1-carboxylate?
The IUPAC name of ethyl 3-(methoxymethyl)-5-(methylamino)pyrazole-1-carboxylate (CID 176977821) is ethyl 3-(methoxymethyl)-5-(methylamino)pyrazole-1-carboxylate.
What is the SMILES notation for ethyl 3-(methoxymethyl)-5-(methylamino)pyrazole-1-carboxylate?
The canonical SMILES for ethyl 3-(methoxymethyl)-5-(methylamino)pyrazole-1-carboxylate is CCOC(=O)n1nc(COC)cc1NC.
What is the InChIKey of ethyl 3-(methoxymethyl)-5-(methylamino)pyrazole-1-carboxylate?
The InChIKey is YWFZOEDVKPAKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-4-15-9(13)12-8(10-2)5-7(11-12)6-14-3/h5,10H,4,6H2,1-3H3.
What are the key properties of ethyl 3-(methoxymethyl)-5-(methylamino)pyrazole-1-carboxylate?
ethyl 3-(methoxymethyl)-5-(methylamino)pyrazole-1-carboxylate has a molecular weight of 213.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(methoxymethyl)-5-(methylamino)pyrazole-1-carboxylate is sourced from PubChem (CID 176977821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).