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

C23H26ClN5O — CID 71710171

IUPAC2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
SMILESCc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)N1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C23H26ClN5O/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)
InChIKeyHWPVICMUZUDWBH-UHFFFAOYSA-N
MW423.95 g/mol
LogP3.36
Rot. Bonds6

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

2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone (PubChem CID 71710171) has the molecular formula C23H26ClN5O and a molecular weight of 423.95 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
PubChem CID71710171
Molecular FormulaC23H26ClN5O
Molecular Weight423.95 g/mol
Exact Mass423.18
IUPAC Name2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
SMILESCc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)N1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C23H26ClN5O/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)
InChIKeyHWPVICMUZUDWBH-UHFFFAOYSA-N
XLogP3.36
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.95
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
CID 71706470
2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone
CID 71708267
2-(4-chlorophenoxy)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone;hydrochloride
CID 52984309
1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethanone
CID 71708672
2-(3-chlorophenyl)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
CID 71988771
2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 71701257
1-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-2-pyridin-4-ylethanone
CID 68937211
1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113074562
2-(4-chlorophenyl)-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 113074346
1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 113074569
(2,4-dichlorophenyl)-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone
CID 37445550
1-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 136518974

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone (CID 71710171) is 2-[3-(4-chlorophenyl)-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-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone is Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)N1CCN(CCc2ccncc2)CC1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone?
The InChIKey is HWPVICMUZUDWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O/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-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone?
2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone has a molecular weight of 423.95 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71710171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).