[1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate

C20H17FN2O4 — CID 42894285

IUPAC[1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate
SMILESCOc1cn(-c2ccccc2)nc1C(=O)OC(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C20H17FN2O4/c1-13(19(24)14-8-10-15(21)11-9-14)27-20(25)18-17(26-2)12-23(22-18)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKeyNVSVHGVEOLHSOP-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.45
Rot. Bonds6

About [1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate

[1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate (PubChem CID 42894285) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate
PubChem CID42894285
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Name[1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate
SMILESCOc1cn(-c2ccccc2)nc1C(=O)OC(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C20H17FN2O4/c1-13(19(24)14-8-10-15(21)11-9-14)27-20(25)18-17(26-2)12-23(22-18)16-6-4-3-5-7-16/h3-13H,1-2H3
InChIKeyNVSVHGVEOLHSOP-UHFFFAOYSA-N
XLogP3.45
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 9382521
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7992073
[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8703470
phenacyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7992049
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8576178
4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide
CID 39498587
[(2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 9382553
4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 120832216
dimethyl 5-(4-methoxy-1-phenylpyrazole-3-carbonyl)oxybenzene-1,3-dicarboxylate
CID 9456471
4-methoxy-N-[(2S)-5-methylhexan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 51862939
[2-(4-chlorophenyl)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8703384
(4-bromophenyl) 4-methoxy-1-phenylpyrazole-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate?
The IUPAC name of [1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate (CID 42894285) is [1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate.
What is the SMILES notation for [1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate?
The canonical SMILES for [1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate is COc1cn(-c2ccccc2)nc1C(=O)OC(C)C(=O)c1ccc(F)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate?
The InChIKey is NVSVHGVEOLHSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4/c1-13(19(24)14-8-10-15(21)11-9-14)27-20(25)18-17(26-2)12-23(22-18)16-6-4-3-5-7-16/h3-13H,1-2H3.
What are the key properties of [1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate?
[1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate has a molecular weight of 368.36 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 42894285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).