ethyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate

C21H20N2O3 — CID 10970105

IUPACethyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate
SMILESCCOC(=O)n1nc(/C=C/c2ccccc2)cc1-c1ccc(OC)cc1
InChIInChI=1S/C21H20N2O3/c1-3-26-21(24)23-20(17-10-13-19(25-2)14-11-17)15-18(22-23)12-9-16-7-5-4-6-8-16/h4-15H,3H2,1-2H3/b12-9+
InChIKeyYZAOPUOXCYWJQV-FMIVXFBMSA-N
MW348.40 g/mol
LogP4.73
Rot. Bonds5

About ethyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate

ethyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate (PubChem CID 10970105) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is ethyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate
PubChem CID10970105
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Nameethyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate
SMILESCCOC(=O)n1nc(/C=C/c2ccccc2)cc1-c1ccc(OC)cc1
InChIInChI=1S/C21H20N2O3/c1-3-26-21(24)23-20(17-10-13-19(25-2)14-11-17)15-18(22-23)12-9-16-7-5-4-6-8-16/h4-15H,3H2,1-2H3/b12-9+
InChIKeyYZAOPUOXCYWJQV-FMIVXFBMSA-N
XLogP4.73
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate
CID 11099694
5-(4-methoxyphenyl)-1-phenyl-3-[(E)-2-phenylethenyl]pyrazole
CID 11057297
ethyl 3-[3-(1-ethoxycarbonyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazole-1-carboxylate
CID 118529532
4-[2-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]ethenyl]-N,N-dimethylaniline
CID 57080412
ethyl 6-(4-methoxyphenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxylate
CID 22452273
2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]pyridine
CID 135025720
tert-butyl 4-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-(4-methoxyphenyl)pyrrole-1-carboxylate
CID 68634638
ethyl acetate;stilbene
CID 159556390
ethyl carbamate;stilbene
CID 175156091
benzyl 2-(2-ethoxy-2-oxoethyl)-5-(4-methoxyphenyl)-3-propan-2-ylpyrrole-1-carboxylate
CID 101402613
ethyl 2-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 132601961
(Z)-2-[3-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-4-yl]-3-phenylprop-2-enoic acid
CID 102521891

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate?
The IUPAC name of ethyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate (CID 10970105) is ethyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate.
What is the SMILES notation for ethyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate?
The canonical SMILES for ethyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate is CCOC(=O)n1nc(/C=C/c2ccccc2)cc1-c1ccc(OC)cc1.
What is the InChIKey of ethyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate?
The InChIKey is YZAOPUOXCYWJQV-FMIVXFBMSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-3-26-21(24)23-20(17-10-13-19(25-2)14-11-17)15-18(22-23)12-9-16-7-5-4-6-8-16/h4-15H,3H2,1-2H3/b12-9+.
What are the key properties of ethyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate?
ethyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-methoxyphenyl)-3-[(E)-2-phenylethenyl]pyrazole-1-carboxylate is sourced from PubChem (CID 10970105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).