ethyl 3-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxylate

C22H23N3O3 — CID 2405034

IUPACethyl 3-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(N3CCOCC3)cc2)nn1-c1ccccc1
InChIInChI=1S/C22H23N3O3/c1-2-28-22(26)21-16-20(23-25(21)19-6-4-3-5-7-19)17-8-10-18(11-9-17)24-12-14-27-15-13-24/h3-11,16H,2,12-15H2,1H3
InChIKeyHSOFMPNGAGDYGZ-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.55
Rot. Bonds5

About ethyl 3-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxylate

ethyl 3-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxylate (PubChem CID 2405034) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is ethyl 3-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxylate
PubChem CID2405034
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Nameethyl 3-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(N3CCOCC3)cc2)nn1-c1ccccc1
InChIInChI=1S/C22H23N3O3/c1-2-28-22(26)21-16-20(23-25(21)19-6-4-3-5-7-19)17-8-10-18(11-9-17)24-12-14-27-15-13-24/h3-11,16H,2,12-15H2,1H3
InChIKeyHSOFMPNGAGDYGZ-UHFFFAOYSA-N
XLogP3.55
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxylate?
The IUPAC name of ethyl 3-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxylate (CID 2405034) is ethyl 3-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxylate is CCOC(=O)c1cc(-c2ccc(N3CCOCC3)cc2)nn1-c1ccccc1.
What is the InChIKey of ethyl 3-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxylate?
The InChIKey is HSOFMPNGAGDYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-2-28-22(26)21-16-20(23-25(21)19-6-4-3-5-7-19)17-8-10-18(11-9-17)24-12-14-27-15-13-24/h3-11,16H,2,12-15H2,1H3.
What are the key properties of ethyl 3-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxylate?
ethyl 3-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-5-carboxylate is sourced from PubChem (CID 2405034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).