2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone

C23H26FN5O — CID 71706470

IUPAC2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
SMILESCc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)N1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C23H26FN5O/c1-17-21(23(27-26-17)19-2-4-20(24)5-3-19)16-22(30)29-14-12-28(13-15-29)11-8-18-6-9-25-10-7-18/h2-7,9-10H,8,11-16H2,1H3,(H,26,27)
InChIKeyUFMJOTBBRVVRAJ-UHFFFAOYSA-N
MW407.49 g/mol
LogP2.85
Rot. Bonds6

About 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone

2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone (PubChem CID 71706470) has the molecular formula C23H26FN5O and a molecular weight of 407.49 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
PubChem CID71706470
Molecular FormulaC23H26FN5O
Molecular Weight407.49 g/mol
Exact Mass407.21
IUPAC Name2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
SMILESCc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)N1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C23H26FN5O/c1-17-21(23(27-26-17)19-2-4-20(24)5-3-19)16-22(30)29-14-12-28(13-15-29)11-8-18-6-9-25-10-7-18/h2-7,9-10H,8,11-16H2,1H3,(H,26,27)
InChIKeyUFMJOTBBRVVRAJ-UHFFFAOYSA-N
XLogP2.85
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
CID 71710171
2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone
CID 71708267
1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethanone
CID 71708672
1-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-pyridin-4-ylethanone
CID 68937211
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110290610
2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 71700774
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 110697261
5-[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxoethyl]-2-methyl-4H-pyrazol-3-one
CID 75395070
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-3-methylsulfonylpropan-1-one
CID 110629304
2-(3-chlorophenyl)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
CID 71988771
2-[4-(2-methyltetrazol-5-yl)phenoxy]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
CID 71705465
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]pentan-1-one
CID 110290585

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone (CID 71706470) is 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone is Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)N1CCN(CCc2ccncc2)CC1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone?
The InChIKey is UFMJOTBBRVVRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O/c1-17-21(23(27-26-17)19-2-4-20(24)5-3-19)16-22(30)29-14-12-28(13-15-29)11-8-18-6-9-25-10-7-18/h2-7,9-10H,8,11-16H2,1H3,(H,26,27).
What are the key properties of 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone?
2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone has a molecular weight of 407.49 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71706470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).