methyl 1,3-dimethyl-5-(1,2-oxazol-5-yl)pyrazole-4-carboxylate

C10H11N3O3 — CID 2744659

IUPACmethyl 1,3-dimethyl-5-(1,2-oxazol-5-yl)pyrazole-4-carboxylate
SMILESCOC(=O)c1c(C)nn(C)c1-c1ccno1
InChIInChI=1S/C10H11N3O3/c1-6-8(10(14)15-3)9(13(2)12-6)7-4-5-11-16-7/h4-5H,1-3H3
InChIKeyYRZIMKIVUPANPB-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.17
Rot. Bonds2

About methyl 1,3-dimethyl-5-(1,2-oxazol-5-yl)pyrazole-4-carboxylate

methyl 1,3-dimethyl-5-(1,2-oxazol-5-yl)pyrazole-4-carboxylate (PubChem CID 2744659) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is methyl 1,3-dimethyl-5-(1,2-oxazol-5-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1,3-dimethyl-5-(1,2-oxazol-5-yl)pyrazole-4-carboxylate
PubChem CID2744659
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Namemethyl 1,3-dimethyl-5-(1,2-oxazol-5-yl)pyrazole-4-carboxylate
SMILESCOC(=O)c1c(C)nn(C)c1-c1ccno1
InChIInChI=1S/C10H11N3O3/c1-6-8(10(14)15-3)9(13(2)12-6)7-4-5-11-16-7/h4-5H,1-3H3
InChIKeyYRZIMKIVUPANPB-UHFFFAOYSA-N
XLogP1.17
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1,3-dimethyl-5-(1,2-oxazol-5-yl)pyrazole-4-carboxylate?
The IUPAC name of methyl 1,3-dimethyl-5-(1,2-oxazol-5-yl)pyrazole-4-carboxylate (CID 2744659) is methyl 1,3-dimethyl-5-(1,2-oxazol-5-yl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 1,3-dimethyl-5-(1,2-oxazol-5-yl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 1,3-dimethyl-5-(1,2-oxazol-5-yl)pyrazole-4-carboxylate is COC(=O)c1c(C)nn(C)c1-c1ccno1.
What is the InChIKey of methyl 1,3-dimethyl-5-(1,2-oxazol-5-yl)pyrazole-4-carboxylate?
The InChIKey is YRZIMKIVUPANPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-6-8(10(14)15-3)9(13(2)12-6)7-4-5-11-16-7/h4-5H,1-3H3.
What are the key properties of methyl 1,3-dimethyl-5-(1,2-oxazol-5-yl)pyrazole-4-carboxylate?
methyl 1,3-dimethyl-5-(1,2-oxazol-5-yl)pyrazole-4-carboxylate has a molecular weight of 221.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3-dimethyl-5-(1,2-oxazol-5-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 2744659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).