ethyl 1-(4-fluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylate

C22H22FN3O3 — CID 2405026

IUPACethyl 1-(4-fluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(N3CCOCC3)cc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C22H22FN3O3/c1-2-29-22(27)21-15-20(24-26(21)19-9-5-17(23)6-10-19)16-3-7-18(8-4-16)25-11-13-28-14-12-25/h3-10,15H,2,11-14H2,1H3
InChIKeyOMRHPAYTGINDHO-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.69
Rot. Bonds5

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

ethyl 1-(4-fluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylate (PubChem CID 2405026) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is ethyl 1-(4-fluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-fluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylate
PubChem CID2405026
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Nameethyl 1-(4-fluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(N3CCOCC3)cc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C22H22FN3O3/c1-2-29-22(27)21-15-20(24-26(21)19-9-5-17(23)6-10-19)16-3-7-18(8-4-16)25-11-13-28-14-12-25/h3-10,15H,2,11-14H2,1H3
InChIKeyOMRHPAYTGINDHO-UHFFFAOYSA-N
XLogP3.69
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-(4-morpholin-4-ylphenyl)-1-(2-nitro-4-sulfamoylphenyl)pyrazole-5-carboxylate
CID 25336960
ethyl 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate
CID 26597179
1-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 42755351
1-[4-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperazin-1-yl]ethanone
CID 5003812
(4-ethylpiperazin-4-ium-1-yl)-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]methanone
CID 7249121
ethyl 5-fluoro-1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 53429376
ethyl 3-[cyclopropylsulfonyl(methyl)amino]-1-(4-fluorophenyl)pyrazole-5-carboxylate
CID 177207661
3-(4-fluorophenyl)-N-(2-methoxyethyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 4558582
methyl 3-[4-(4-bromophenoxy)phenyl]-1-(4-fluorophenyl)pyrazole-5-carboxylate
CID 131954973
1,3-bis(4-fluorophenyl)-N-(4-methylphenyl)pyrazole-5-carboxamide
CID 4638093
ethyl 7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxylate;methanol
CID 178051371
[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone
CID 42755348

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-fluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylate?
The IUPAC name of ethyl 1-(4-fluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylate (CID 2405026) is ethyl 1-(4-fluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-(4-fluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylate?
The canonical SMILES for ethyl 1-(4-fluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylate is CCOC(=O)c1cc(-c2ccc(N3CCOCC3)cc2)nn1-c1ccc(F)cc1.
What is the InChIKey of ethyl 1-(4-fluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylate?
The InChIKey is OMRHPAYTGINDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-2-29-22(27)21-15-20(24-26(21)19-9-5-17(23)6-10-19)16-3-7-18(8-4-16)25-11-13-28-14-12-25/h3-10,15H,2,11-14H2,1H3.
What are the key properties of ethyl 1-(4-fluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylate?
ethyl 1-(4-fluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylate has a molecular weight of 395.43 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-fluorophenyl)-3-(4-morpholin-4-ylphenyl)pyrazole-5-carboxylate is sourced from PubChem (CID 2405026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).