methyl 1-[1-(4-fluorophenyl)-4-phenylmethoxypyrazole-3-carbonyl]piperidine-4-carboxylate

C24H24FN3O4 — CID 42109794

IUPACmethyl 1-[1-(4-fluorophenyl)-4-phenylmethoxypyrazole-3-carbonyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2OCc2ccccc2)CC1
InChIInChI=1S/C24H24FN3O4/c1-31-24(30)18-11-13-27(14-12-18)23(29)22-21(32-16-17-5-3-2-4-6-17)15-28(26-22)20-9-7-19(25)8-10-20/h2-10,15,18H,11-14,16H2,1H3
InChIKeyYOPRAAAZJIUGSI-UHFFFAOYSA-N
MW437.47 g/mol
LogP3.62
Rot. Bonds6

About methyl 1-[1-(4-fluorophenyl)-4-phenylmethoxypyrazole-3-carbonyl]piperidine-4-carboxylate

methyl 1-[1-(4-fluorophenyl)-4-phenylmethoxypyrazole-3-carbonyl]piperidine-4-carboxylate (PubChem CID 42109794) has the molecular formula C24H24FN3O4 and a molecular weight of 437.47 g/mol. Its IUPAC name is methyl 1-[1-(4-fluorophenyl)-4-phenylmethoxypyrazole-3-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-(4-fluorophenyl)-4-phenylmethoxypyrazole-3-carbonyl]piperidine-4-carboxylate
PubChem CID42109794
Molecular FormulaC24H24FN3O4
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC Namemethyl 1-[1-(4-fluorophenyl)-4-phenylmethoxypyrazole-3-carbonyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2OCc2ccccc2)CC1
InChIInChI=1S/C24H24FN3O4/c1-31-24(30)18-11-13-27(14-12-18)23(29)22-21(32-16-17-5-3-2-4-6-17)15-28(26-22)20-9-7-19(25)8-10-20/h2-10,15,18H,11-14,16H2,1H3
InChIKeyYOPRAAAZJIUGSI-UHFFFAOYSA-N
XLogP3.62
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 135308996
CID 135308996
4-methoxy-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 7992549
4-methoxy-N-(2-methoxy-5-methylphenyl)-1-phenylpyrazole-3-carboxamide
CID 7992588
(3S)-3-[2-[(2-fluorophenyl)methyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 135308877
(3S)-3-[2-[(2,6-difluorophenyl)methyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 135308925
(3S)-3-[2-[(3-fluorophenyl)methyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 135308934
(3S)-3-[2-[(4-fluorophenyl)methyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 135309005
[1-(N-ethylanilino)-1-oxopropan-2-yl] 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 16274755
1-benzyl-4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-3-carboxamide
CID 130299021
N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 150840441
4-ethoxy-1-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]pyrazole-3-carboxamide
CID 164615495
tert-butyl 4-[3-{[(4-fluorophenyl)amino]carbonyl}-1-(2-methoxyphenyl)-1H-pyrazol-4-yl]-1-piperidinecarboxylate
CID 2984054

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-(4-fluorophenyl)-4-phenylmethoxypyrazole-3-carbonyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[1-(4-fluorophenyl)-4-phenylmethoxypyrazole-3-carbonyl]piperidine-4-carboxylate (CID 42109794) is methyl 1-[1-(4-fluorophenyl)-4-phenylmethoxypyrazole-3-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[1-(4-fluorophenyl)-4-phenylmethoxypyrazole-3-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[1-(4-fluorophenyl)-4-phenylmethoxypyrazole-3-carbonyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2OCc2ccccc2)CC1.
What is the InChIKey of methyl 1-[1-(4-fluorophenyl)-4-phenylmethoxypyrazole-3-carbonyl]piperidine-4-carboxylate?
The InChIKey is YOPRAAAZJIUGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4/c1-31-24(30)18-11-13-27(14-12-18)23(29)22-21(32-16-17-5-3-2-4-6-17)15-28(26-22)20-9-7-19(25)8-10-20/h2-10,15,18H,11-14,16H2,1H3.
What are the key properties of methyl 1-[1-(4-fluorophenyl)-4-phenylmethoxypyrazole-3-carbonyl]piperidine-4-carboxylate?
methyl 1-[1-(4-fluorophenyl)-4-phenylmethoxypyrazole-3-carbonyl]piperidine-4-carboxylate has a molecular weight of 437.47 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-(4-fluorophenyl)-4-phenylmethoxypyrazole-3-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 42109794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).