ethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxylate

C18H19N3O3 — CID 24980481

IUPACethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nn1Cc1cc(CC)no1
InChIInChI=1S/C18H19N3O3/c1-3-14-10-15(24-20-14)12-21-17(18(22)23-4-2)11-16(19-21)13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3
InChIKeyWAKOHGPQIMMTJN-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.33
Rot. Bonds6

About ethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxylate

ethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxylate (PubChem CID 24980481) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is ethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxylate
PubChem CID24980481
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Nameethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nn1Cc1cc(CC)no1
InChIInChI=1S/C18H19N3O3/c1-3-14-10-15(24-20-14)12-21-17(18(22)23-4-2)11-16(19-21)13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3
InChIKeyWAKOHGPQIMMTJN-UHFFFAOYSA-N
XLogP3.33
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxylate?
The IUPAC name of ethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxylate (CID 24980481) is ethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxylate?
The canonical SMILES for ethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxylate is CCOC(=O)c1cc(-c2ccccc2)nn1Cc1cc(CC)no1.
What is the InChIKey of ethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxylate?
The InChIKey is WAKOHGPQIMMTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-3-14-10-15(24-20-14)12-21-17(18(22)23-4-2)11-16(19-21)13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3.
What are the key properties of ethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxylate?
ethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxylate has a molecular weight of 325.37 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxylate is sourced from PubChem (CID 24980481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).