ethyl 5-(2-morpholin-4-ylethoxy)-1-(4-phenylphenyl)pyrazole-4-carboxylate

C24H27N3O4 — CID 18693283

IUPACethyl 5-(2-morpholin-4-ylethoxy)-1-(4-phenylphenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(-c3ccccc3)cc2)c1OCCN1CCOCC1
InChIInChI=1S/C24H27N3O4/c1-2-30-24(28)22-18-25-27(23(22)31-17-14-26-12-15-29-16-13-26)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18H,2,12-17H2,1H3
InChIKeyQQLMCONYPGOFHI-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.43
Rot. Bonds8

About ethyl 5-(2-morpholin-4-ylethoxy)-1-(4-phenylphenyl)pyrazole-4-carboxylate

ethyl 5-(2-morpholin-4-ylethoxy)-1-(4-phenylphenyl)pyrazole-4-carboxylate (PubChem CID 18693283) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is ethyl 5-(2-morpholin-4-ylethoxy)-1-(4-phenylphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-morpholin-4-ylethoxy)-1-(4-phenylphenyl)pyrazole-4-carboxylate
PubChem CID18693283
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Nameethyl 5-(2-morpholin-4-ylethoxy)-1-(4-phenylphenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(-c3ccccc3)cc2)c1OCCN1CCOCC1
InChIInChI=1S/C24H27N3O4/c1-2-30-24(28)22-18-25-27(23(22)31-17-14-26-12-15-29-16-13-26)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18H,2,12-17H2,1H3
InChIKeyQQLMCONYPGOFHI-UHFFFAOYSA-N
XLogP3.43
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-morpholin-4-ylethoxy)-1-(4-phenylphenyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(2-morpholin-4-ylethoxy)-1-(4-phenylphenyl)pyrazole-4-carboxylate (CID 18693283) is ethyl 5-(2-morpholin-4-ylethoxy)-1-(4-phenylphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2-morpholin-4-ylethoxy)-1-(4-phenylphenyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2-morpholin-4-ylethoxy)-1-(4-phenylphenyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(-c3ccccc3)cc2)c1OCCN1CCOCC1.
What is the InChIKey of ethyl 5-(2-morpholin-4-ylethoxy)-1-(4-phenylphenyl)pyrazole-4-carboxylate?
The InChIKey is QQLMCONYPGOFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-2-30-24(28)22-18-25-27(23(22)31-17-14-26-12-15-29-16-13-26)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18H,2,12-17H2,1H3.
What are the key properties of ethyl 5-(2-morpholin-4-ylethoxy)-1-(4-phenylphenyl)pyrazole-4-carboxylate?
ethyl 5-(2-morpholin-4-ylethoxy)-1-(4-phenylphenyl)pyrazole-4-carboxylate has a molecular weight of 421.50 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-morpholin-4-ylethoxy)-1-(4-phenylphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 18693283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).