ethyl 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methoxy]pyrazole-3-carboxylate

C22H20N4O3 — CID 56528108

IUPACethyl 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methoxy]pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)cc1OCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C22H20N4O3/c1-2-28-22(27)21-20(15-26(24-21)18-7-4-3-5-8-18)29-16-17-9-11-19(12-10-17)25-14-6-13-23-25/h3-15H,2,16H2,1H3
InChIKeyFRWOVZBUMXFXPL-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.81
Rot. Bonds7

About ethyl 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methoxy]pyrazole-3-carboxylate

ethyl 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methoxy]pyrazole-3-carboxylate (PubChem CID 56528108) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is ethyl 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methoxy]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methoxy]pyrazole-3-carboxylate
PubChem CID56528108
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Nameethyl 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methoxy]pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)cc1OCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C22H20N4O3/c1-2-28-22(27)21-20(15-26(24-21)18-7-4-3-5-8-18)29-16-17-9-11-19(12-10-17)25-14-6-13-23-25/h3-15H,2,16H2,1H3
InChIKeyFRWOVZBUMXFXPL-UHFFFAOYSA-N
XLogP3.81
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[(5-chlorothiophen-2-yl)methoxy]-1-phenylpyrazole-3-carboxylate
CID 55868050
ethyl 4-[2-(2-methylphenyl)-2-oxoethoxy]-1-phenylpyrazole-3-carboxylate
CID 55866779
ethyl 1-phenyl-4-(trifluoromethoxy)pyrazole-3-carboxylate
CID 175260189
ethyl 1-(4-nitrophenyl)-4-[(3-nitrophenyl)methoxy]pyrazole-3-carboxylate
CID 55753619
2-[2-[(4-pyrazol-1-ylphenyl)methoxy]phenyl]acetamide
CID 75390964
ethyl 4-[2-(2,5-dimethylphenyl)-2-oxoethoxy]-1-phenylpyrazole-3-carboxylate
CID 55750217
(4-pyrazol-1-ylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 16571120
ethyl 4-[2-(2-chloroanilino)-2-oxoethoxy]-1-phenylpyrazole-3-carboxylate
CID 60519498
ethyl 4-[2-(cyclooctylamino)-2-oxoethoxy]-1-phenylpyrazole-3-carboxylate
CID 55750602
ethyl 4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-1-phenylpyrazole-3-carboxylate
CID 55868182
ethyl 4-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethoxy]-1-phenylpyrazole-3-carboxylate
CID 60519479
(4-nitrophenyl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8703381

Frequently Asked Questions

What is the IUPAC name of ethyl 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methoxy]pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methoxy]pyrazole-3-carboxylate (CID 56528108) is ethyl 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methoxy]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methoxy]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methoxy]pyrazole-3-carboxylate is CCOC(=O)c1nn(-c2ccccc2)cc1OCc1ccc(-n2cccn2)cc1.
What is the InChIKey of ethyl 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methoxy]pyrazole-3-carboxylate?
The InChIKey is FRWOVZBUMXFXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-2-28-22(27)21-20(15-26(24-21)18-7-4-3-5-8-18)29-16-17-9-11-19(12-10-17)25-14-6-13-23-25/h3-15H,2,16H2,1H3.
What are the key properties of ethyl 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methoxy]pyrazole-3-carboxylate?
ethyl 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methoxy]pyrazole-3-carboxylate has a molecular weight of 388.43 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methoxy]pyrazole-3-carboxylate is sourced from PubChem (CID 56528108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).