ethyl 1-phenyl-3-phenylmethoxypyrazole-4-carboxylate

C19H18N2O3 — CID 22930780

IUPACethyl 1-phenyl-3-phenylmethoxypyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C19H18N2O3/c1-2-23-19(22)17-13-21(16-11-7-4-8-12-16)20-18(17)24-14-15-9-5-3-6-10-15/h3-13H,2,14H2,1H3
InChIKeyQAKCKAOCRMUFND-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.63
Rot. Bonds6

About ethyl 1-phenyl-3-phenylmethoxypyrazole-4-carboxylate

ethyl 1-phenyl-3-phenylmethoxypyrazole-4-carboxylate (PubChem CID 22930780) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 1-phenyl-3-phenylmethoxypyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-phenyl-3-phenylmethoxypyrazole-4-carboxylate
PubChem CID22930780
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Nameethyl 1-phenyl-3-phenylmethoxypyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C19H18N2O3/c1-2-23-19(22)17-13-21(16-11-7-4-8-12-16)20-18(17)24-14-15-9-5-3-6-10-15/h3-13H,2,14H2,1H3
InChIKeyQAKCKAOCRMUFND-UHFFFAOYSA-N
XLogP3.63
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-phenyl-3-phenylmethoxypyrazole-4-carboxylate?
The IUPAC name of ethyl 1-phenyl-3-phenylmethoxypyrazole-4-carboxylate (CID 22930780) is ethyl 1-phenyl-3-phenylmethoxypyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-phenyl-3-phenylmethoxypyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-phenyl-3-phenylmethoxypyrazole-4-carboxylate is CCOC(=O)c1cn(-c2ccccc2)nc1OCc1ccccc1.
What is the InChIKey of ethyl 1-phenyl-3-phenylmethoxypyrazole-4-carboxylate?
The InChIKey is QAKCKAOCRMUFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-2-23-19(22)17-13-21(16-11-7-4-8-12-16)20-18(17)24-14-15-9-5-3-6-10-15/h3-13H,2,14H2,1H3.
What are the key properties of ethyl 1-phenyl-3-phenylmethoxypyrazole-4-carboxylate?
ethyl 1-phenyl-3-phenylmethoxypyrazole-4-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-phenyl-3-phenylmethoxypyrazole-4-carboxylate is sourced from PubChem (CID 22930780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).