2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-[4-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone

C26H31FN4O2 — CID 123311415

IUPAC2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-[4-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone
SMILESCOCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCC(CCc2ccccn2)CC1
InChIInChI=1S/C26H31FN4O2/c1-19-15-21(7-9-24(19)27)25-16-23(18-33-2)31(29-25)17-26(32)30-13-10-20(11-14-30)6-8-22-5-3-4-12-28-22/h3-5,7,9,12,15-16,20H,6,8,10-11,13-14,17-18H2,1-2H3
InChIKeyMUDJCHZVFFRMON-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.41
Rot. Bonds8

About 2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-[4-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone

2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-[4-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone (PubChem CID 123311415) has the molecular formula C26H31FN4O2 and a molecular weight of 450.56 g/mol. Its IUPAC name is 2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-[4-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-[4-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone
PubChem CID123311415
Molecular FormulaC26H31FN4O2
Molecular Weight450.56 g/mol
Exact Mass450.24
IUPAC Name2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-[4-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone
SMILESCOCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCC(CCc2ccccn2)CC1
InChIInChI=1S/C26H31FN4O2/c1-19-15-21(7-9-24(19)27)25-16-23(18-33-2)31(29-25)17-26(32)30-13-10-20(11-14-30)6-8-22-5-3-4-12-28-22/h3-5,7,9,12,15-16,20H,6,8,10-11,13-14,17-18H2,1-2H3
InChIKeyMUDJCHZVFFRMON-UHFFFAOYSA-N
XLogP4.41
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-(3-methyl-2-thia-8-aza-4-azoniabicyclo[4.3.0]nona-1(6),3,4-trien-8-yl)ethanone
CID 153049317
2-[3-(4-fluoro-3-methylphenyl)-5-(2-methylpropyl)-1,2,4-triazol-1-yl]-1-[4-[2-(6-methoxypyrimidin-4-yl)ethyl]piperidin-1-yl]ethanone
CID 123681935
2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-[2-(methoxymethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 123948904
1-(2,3-dimethyl-5,6,8,9-tetrahydro-4H-pyrano[2,3-d]azepin-7-yl)-2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]ethanone
CID 123890270
2-[5-cyclopentyl-3-(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-[2-(4-methyl-2-pyridinyl)ethyl]piperidin-1-yl]ethanone
CID 123302791
2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 71571959
2-[5-cyclohexyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(3-methylcyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethanone
CID 123871758
1-[4-(aminomethyl)piperidin-1-yl]-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]ethanone
CID 141198879
2-[3-(4-fluoro-5-methyl-2-pyridinyl)-5-propylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 71571858
2-(5-amino-3-methylpyrazol-1-yl)-1-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 99931641
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone;dihydrochloride
CID 119544074
[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]methyl-methylcarbamic acid
CID 67092189

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-[4-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-[4-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone (CID 123311415) is 2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-[4-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-[4-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-[4-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone is COCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCC(CCc2ccccn2)CC1.
What is the InChIKey of 2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-[4-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone?
The InChIKey is MUDJCHZVFFRMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O2/c1-19-15-21(7-9-24(19)27)25-16-23(18-33-2)31(29-25)17-26(32)30-13-10-20(11-14-30)6-8-22-5-3-4-12-28-22/h3-5,7,9,12,15-16,20H,6,8,10-11,13-14,17-18H2,1-2H3.
What are the key properties of 2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-[4-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone?
2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-[4-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone has a molecular weight of 450.56 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-[4-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 123311415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).