(1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate

C24H24FN3O5 — CID 16519237

IUPAC(1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate
SMILESCOc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)OC(C)C(=O)N2CCOCC2)c1
InChIInChI=1S/C24H24FN3O5/c1-16(23(29)27-10-12-32-13-11-27)33-24(30)21-15-28(19-8-6-18(25)7-9-19)26-22(21)17-4-3-5-20(14-17)31-2/h3-9,14-16H,10-13H2,1-2H3
InChIKeySRVFQRNVAKBJGL-UHFFFAOYSA-N
MW453.47 g/mol
LogP3.09
Rot. Bonds6

About (1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate

(1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate (PubChem CID 16519237) has the molecular formula C24H24FN3O5 and a molecular weight of 453.47 g/mol. Its IUPAC name is (1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Name(1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate
PubChem CID16519237
Molecular FormulaC24H24FN3O5
Molecular Weight453.47 g/mol
Exact Mass453.17
IUPAC Name(1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate
SMILESCOc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)OC(C)C(=O)N2CCOCC2)c1
InChIInChI=1S/C24H24FN3O5/c1-16(23(29)27-10-12-32-13-11-27)33-24(30)21-15-28(19-8-6-18(25)7-9-19)26-22(21)17-4-3-5-20(14-17)31-2/h3-9,14-16H,10-13H2,1-2H3
InChIKeySRVFQRNVAKBJGL-UHFFFAOYSA-N
XLogP3.09
TPSA82.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 35834289
(1-morpholin-4-yl-1-oxopropan-2-yl) 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 16531058
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
CID 8820503
N-[2-(dimethylamino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-4-carboxamide
CID 9227105
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide
CID 9301358
[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43002761
1-[4-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 52573416
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 51917518
(2S)-2-(3-methoxyphenoxy)-1-morpholin-4-ylpropan-1-one
CID 92679202
3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 29206299
[(2S)-2-ethylmorpholin-4-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 38002651
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 1,3-diphenylpyrazole-4-carboxylate
CID 26057235

Frequently Asked Questions

What is the IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate?
The IUPAC name of (1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate (CID 16519237) is (1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for (1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate?
The canonical SMILES for (1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate is COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)OC(C)C(=O)N2CCOCC2)c1.
What is the InChIKey of (1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate?
The InChIKey is SRVFQRNVAKBJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O5/c1-16(23(29)27-10-12-32-13-11-27)33-24(30)21-15-28(19-8-6-18(25)7-9-19)26-22(21)17-4-3-5-20(14-17)31-2/h3-9,14-16H,10-13H2,1-2H3.
What are the key properties of (1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate?
(1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate has a molecular weight of 453.47 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 16519237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).