5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate

C10H10N3O3- — CID 7017793

IUPAC5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate
SMILESCCn1ncc(-c2cc(C(=O)[O-])no2)c1C
InChIInChI=1S/C10H11N3O3/c1-3-13-6(2)7(5-11-13)9-4-8(10(14)15)12-16-9/h4-5H,3H2,1-2H3,(H,14,15)/p-1
InChIKeyICZFVKOUEQVVPE-UHFFFAOYSA-M
MW220.21 g/mol
LogP0.23
Rot. Bonds3

About 5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate

5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate (PubChem CID 7017793) has the molecular formula C10H10N3O3- and a molecular weight of 220.21 g/mol. Its IUPAC name is 5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Name5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate
PubChem CID7017793
Molecular FormulaC10H10N3O3-
Molecular Weight220.21 g/mol
Exact Mass220.07
IUPAC Name5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate
SMILESCCn1ncc(-c2cc(C(=O)[O-])no2)c1C
InChIInChI=1S/C10H11N3O3/c1-3-13-6(2)7(5-11-13)9-4-8(10(14)15)12-16-9/h4-5H,3H2,1-2H3,(H,14,15)/p-1
InChIKeyICZFVKOUEQVVPE-UHFFFAOYSA-M
XLogP0.23
TPSA83.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate?
The IUPAC name of 5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate (CID 7017793) is 5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for 5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for 5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate is CCn1ncc(-c2cc(C(=O)[O-])no2)c1C.
What is the InChIKey of 5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate?
The InChIKey is ICZFVKOUEQVVPE-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11N3O3/c1-3-13-6(2)7(5-11-13)9-4-8(10(14)15)12-16-9/h4-5H,3H2,1-2H3,(H,14,15)/p-1.
What are the key properties of 5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate?
5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate has a molecular weight of 220.21 g/mol, XLogP of 0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 7017793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).