N-[2-[1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]ethyl]acetamide

C26H31FN4O — CID 26332794

IUPACN-[2-[1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCN(Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)CC1
InChIInChI=1S/C26H31FN4O/c1-19-5-3-8-25(15-19)31-18-23(26(29-31)22-6-4-7-24(27)16-22)17-30-13-10-21(11-14-30)9-12-28-20(2)32/h3-8,15-16,18,21H,9-14,17H2,1-2H3,(H,28,32)
InChIKeyXPXXXXOUXIPBAD-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.73
Rot. Bonds7

About N-[2-[1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]ethyl]acetamide

N-[2-[1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]ethyl]acetamide (PubChem CID 26332794) has the molecular formula C26H31FN4O and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[2-[1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]ethyl]acetamide
PubChem CID26332794
Molecular FormulaC26H31FN4O
Molecular Weight434.56 g/mol
Exact Mass434.25
IUPAC NameN-[2-[1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCN(Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)CC1
InChIInChI=1S/C26H31FN4O/c1-19-5-3-8-25(15-19)31-18-23(26(29-31)22-6-4-7-24(27)16-22)17-30-13-10-21(11-14-30)9-12-28-20(2)32/h3-8,15-16,18,21H,9-14,17H2,1-2H3,(H,28,32)
InChIKeyXPXXXXOUXIPBAD-UHFFFAOYSA-N
XLogP4.73
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine
CID 42567707
4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-1-methylpiperazin-2-one
CID 70768807
4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methylamino]cyclohexan-1-ol
CID 42215151
methyl 2-[(2S)-1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetate
CID 25311862
(3R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N,1-dimethylpyrrolidin-3-amine
CID 95892061
[(3R)-4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol
CID 95873525
[4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol
CID 70747526
N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine
CID 29151070
(4S)-1-ethyl-4-[[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-methylamino]methyl]pyrrolidin-2-one
CID 25460197
1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol
CID 25486900
4-(2-methoxyethoxy)-1-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidine
CID 42243755
2-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-propan-2-ylamino]ethanol
CID 25378437

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]ethyl]acetamide (CID 26332794) is N-[2-[1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]ethyl]acetamide is CC(=O)NCCC1CCN(Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)CC1.
What is the InChIKey of N-[2-[1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]ethyl]acetamide?
The InChIKey is XPXXXXOUXIPBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O/c1-19-5-3-8-25(15-19)31-18-23(26(29-31)22-6-4-7-24(27)16-22)17-30-13-10-21(11-14-30)9-12-28-20(2)32/h3-8,15-16,18,21H,9-14,17H2,1-2H3,(H,28,32).
What are the key properties of N-[2-[1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]ethyl]acetamide?
N-[2-[1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]ethyl]acetamide has a molecular weight of 434.56 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]ethyl]acetamide is sourced from PubChem (CID 26332794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).