ethyl 5-amino-1-(oxolan-3-yl)pyrazole-3-carboxylate

C10H15N3O3 — CID 112707165

IUPACethyl 5-amino-1-(oxolan-3-yl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(N)n(C2CCOC2)n1
InChIInChI=1S/C10H15N3O3/c1-2-16-10(14)8-5-9(11)13(12-8)7-3-4-15-6-7/h5,7H,2-4,6,11H2,1H3
InChIKeyNMKVVCMNVHVCQL-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.60
Rot. Bonds3

About ethyl 5-amino-1-(oxolan-3-yl)pyrazole-3-carboxylate

ethyl 5-amino-1-(oxolan-3-yl)pyrazole-3-carboxylate (PubChem CID 112707165) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is ethyl 5-amino-1-(oxolan-3-yl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(oxolan-3-yl)pyrazole-3-carboxylate
PubChem CID112707165
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nameethyl 5-amino-1-(oxolan-3-yl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(N)n(C2CCOC2)n1
InChIInChI=1S/C10H15N3O3/c1-2-16-10(14)8-5-9(11)13(12-8)7-3-4-15-6-7/h5,7H,2-4,6,11H2,1H3
InChIKeyNMKVVCMNVHVCQL-UHFFFAOYSA-N
XLogP0.60
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(oxolan-3-yl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-amino-1-(oxolan-3-yl)pyrazole-3-carboxylate (CID 112707165) is ethyl 5-amino-1-(oxolan-3-yl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(oxolan-3-yl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(oxolan-3-yl)pyrazole-3-carboxylate is CCOC(=O)c1cc(N)n(C2CCOC2)n1.
What is the InChIKey of ethyl 5-amino-1-(oxolan-3-yl)pyrazole-3-carboxylate?
The InChIKey is NMKVVCMNVHVCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-16-10(14)8-5-9(11)13(12-8)7-3-4-15-6-7/h5,7H,2-4,6,11H2,1H3.
What are the key properties of ethyl 5-amino-1-(oxolan-3-yl)pyrazole-3-carboxylate?
ethyl 5-amino-1-(oxolan-3-yl)pyrazole-3-carboxylate has a molecular weight of 225.25 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(oxolan-3-yl)pyrazole-3-carboxylate is sourced from PubChem (CID 112707165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).