ethyl 1,3-diphenylpyrazole-5-carboxylate

C18H16N2O2 — CID 2374374

IUPACethyl 1,3-diphenylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C18H16N2O2/c1-2-22-18(21)17-13-16(14-9-5-3-6-10-14)19-20(17)15-11-7-4-8-12-15/h3-13H,2H2,1H3
InChIKeyBWTLOAULVWBENQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.72
Rot. Bonds4

About ethyl 1,3-diphenylpyrazole-5-carboxylate

ethyl 1,3-diphenylpyrazole-5-carboxylate (PubChem CID 2374374) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethyl 1,3-diphenylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1,3-diphenylpyrazole-5-carboxylate
PubChem CID2374374
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Nameethyl 1,3-diphenylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C18H16N2O2/c1-2-22-18(21)17-13-16(14-9-5-3-6-10-14)19-20(17)15-11-7-4-8-12-15/h3-13H,2H2,1H3
InChIKeyBWTLOAULVWBENQ-UHFFFAOYSA-N
XLogP3.72
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,3-diphenylpyrazole-5-carboxylate?
The IUPAC name of ethyl 1,3-diphenylpyrazole-5-carboxylate (CID 2374374) is ethyl 1,3-diphenylpyrazole-5-carboxylate.
What is the SMILES notation for ethyl 1,3-diphenylpyrazole-5-carboxylate?
The canonical SMILES for ethyl 1,3-diphenylpyrazole-5-carboxylate is CCOC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of ethyl 1,3-diphenylpyrazole-5-carboxylate?
The InChIKey is BWTLOAULVWBENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-2-22-18(21)17-13-16(14-9-5-3-6-10-14)19-20(17)15-11-7-4-8-12-15/h3-13H,2H2,1H3.
What are the key properties of ethyl 1,3-diphenylpyrazole-5-carboxylate?
ethyl 1,3-diphenylpyrazole-5-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3-diphenylpyrazole-5-carboxylate is sourced from PubChem (CID 2374374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).