N-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide

C23H23F3N4O2 — CID 24791692

IUPACN-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2ccccc2OC(F)F)CC1)c1cccc(F)c1
InChIInChI=1S/C23H23F3N4O2/c24-18-6-3-5-16(14-18)22(31)28-21-8-11-27-30(21)19-9-12-29(13-10-19)15-17-4-1-2-7-20(17)32-23(25)26/h1-8,11,14,19,23H,9-10,12-13,15H2,(H,28,31)
InChIKeyJOQVAYAQPJIZLN-UHFFFAOYSA-N
MW444.46 g/mol
LogP4.71
Rot. Bonds7

About N-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide

N-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide (PubChem CID 24791692) has the molecular formula C23H23F3N4O2 and a molecular weight of 444.46 g/mol. Its IUPAC name is N-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide
PubChem CID24791692
Molecular FormulaC23H23F3N4O2
Molecular Weight444.46 g/mol
Exact Mass444.18
IUPAC NameN-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2ccccc2OC(F)F)CC1)c1cccc(F)c1
InChIInChI=1S/C23H23F3N4O2/c24-18-6-3-5-16(14-18)22(31)28-21-8-11-27-30(21)19-9-12-29(13-10-19)15-17-4-1-2-7-20(17)32-23(25)26/h1-8,11,14,19,23H,9-10,12-13,15H2,(H,28,31)
InChIKeyJOQVAYAQPJIZLN-UHFFFAOYSA-N
XLogP4.71
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560290
2-[4-(dimethylamino)phenyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-yl]acetamide
CID 118560399
N-cyclopropyl-3-(1-(2,6-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-4-methylbenzamide
CID 45268398
N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]-3-methoxybenzamide
CID 1509647
N-[1-[1-(3-Furanylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl]-2-methoxybenzamide
CID 24790587
N-cyclopropyl-3-(1-(3-fluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yloxy)-4-methylbenzamide
CID 45269229
3-[2-(4-fluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67305810
3-[2-(2,4-difluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67306982
3-[2-(2-fluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67307127
3-[(E)-2-(2-fluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540510
3-[(E)-2-(4-fluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540511
3-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540610

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide?
The IUPAC name of N-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide (CID 24791692) is N-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide is O=C(Nc1ccnn1C1CCN(Cc2ccccc2OC(F)F)CC1)c1cccc(F)c1.
What is the InChIKey of N-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide?
The InChIKey is JOQVAYAQPJIZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O2/c24-18-6-3-5-16(14-18)22(31)28-21-8-11-27-30(21)19-9-12-29(13-10-19)15-17-4-1-2-7-20(17)32-23(25)26/h1-8,11,14,19,23H,9-10,12-13,15H2,(H,28,31).
What are the key properties of N-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide?
N-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide has a molecular weight of 444.46 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide is sourced from PubChem (CID 24791692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).