1-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-2-[6-(4-hydroxypiperidin-1-yl)-5-methyl-3-pyridinyl]ethanone

C23H25ClN4O2 — CID 161108149

IUPAC1-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-2-[6-(4-hydroxypiperidin-1-yl)-5-methyl-3-pyridinyl]ethanone
SMILESCc1cc(CC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cnc1N1CCC(O)CC1
InChIInChI=1S/C23H25ClN4O2/c1-15-11-17(13-25-23(15)27-9-7-20(29)8-10-27)12-22(30)21-14-26-28(16(21)2)19-5-3-18(24)4-6-19/h3-6,11,13-14,20,29H,7-10,12H2,1-2H3
InChIKeyUJIIBAFUCWOION-UHFFFAOYSA-N
MW424.93 g/mol
LogP3.92
Rot. Bonds5

About 1-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-2-[6-(4-hydroxypiperidin-1-yl)-5-methyl-3-pyridinyl]ethanone

1-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-2-[6-(4-hydroxypiperidin-1-yl)-5-methyl-3-pyridinyl]ethanone (PubChem CID 161108149) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-2-[6-(4-hydroxypiperidin-1-yl)-5-methyl-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-2-[6-(4-hydroxypiperidin-1-yl)-5-methyl-3-pyridinyl]ethanone
PubChem CID161108149
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name1-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-2-[6-(4-hydroxypiperidin-1-yl)-5-methyl-3-pyridinyl]ethanone
SMILESCc1cc(CC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cnc1N1CCC(O)CC1
InChIInChI=1S/C23H25ClN4O2/c1-15-11-17(13-25-23(15)27-9-7-20(29)8-10-27)12-22(30)21-14-26-28(16(21)2)19-5-3-18(24)4-6-19/h3-6,11,13-14,20,29H,7-10,12H2,1-2H3
InChIKeyUJIIBAFUCWOION-UHFFFAOYSA-N
XLogP3.92
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-2-[6-(4-hydroxypiperidin-1-yl)-5-methyl-3-pyridinyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-[4-(2-fluoropropan-2-yl)piperidin-1-yl]-5-methyl-3-pyridinyl]-1-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanone
CID 146729022
[1-[5-[2-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-2-oxoethyl]-3-cyano-2-pyridinyl]piperidin-4-yl] acetate
CID 158287290
5-[2-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-2-oxoethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carbonitrile
CID 158648561
5-[2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-2-oxoethyl]-2-[4-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 147587388
2-bromo-1-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]ethanone
CID 89182938
1-(4-chlorophenyl)-N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]-5-methylpyrazole-4-carboxamide;hydrate
CID 22228136
1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl chloride
CID 2776128
1-(4-chlorophenyl)-N-[3-cyano-4-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]phenyl]-5-methylpyrazole-4-carboxamide;hydrate
CID 139946010
1-[1-(4-tert-butylphenyl)-5-methylpyrazol-4-yl]-2-[5-methyl-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]ethanone
CID 161422134
1-[4-[5-[2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-2-oxoethyl]-3-methyl-2-pyridinyl]cyclohex-3-en-1-yl]-3,3-dimethylbutan-1-one
CID 149300155
4-hydroxy-1-[5-[2-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-2-oxoethyl]-2-pyridinyl]cyclohexane-1-carbonitrile
CID 147667841
(3S)-1-[1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119113534

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-2-[6-(4-hydroxypiperidin-1-yl)-5-methyl-3-pyridinyl]ethanone?
The IUPAC name of 1-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-2-[6-(4-hydroxypiperidin-1-yl)-5-methyl-3-pyridinyl]ethanone (CID 161108149) is 1-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-2-[6-(4-hydroxypiperidin-1-yl)-5-methyl-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-2-[6-(4-hydroxypiperidin-1-yl)-5-methyl-3-pyridinyl]ethanone?
The canonical SMILES for 1-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-2-[6-(4-hydroxypiperidin-1-yl)-5-methyl-3-pyridinyl]ethanone is Cc1cc(CC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cnc1N1CCC(O)CC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-2-[6-(4-hydroxypiperidin-1-yl)-5-methyl-3-pyridinyl]ethanone?
The InChIKey is UJIIBAFUCWOION-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-15-11-17(13-25-23(15)27-9-7-20(29)8-10-27)12-22(30)21-14-26-28(16(21)2)19-5-3-18(24)4-6-19/h3-6,11,13-14,20,29H,7-10,12H2,1-2H3.
What are the key properties of 1-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-2-[6-(4-hydroxypiperidin-1-yl)-5-methyl-3-pyridinyl]ethanone?
1-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-2-[6-(4-hydroxypiperidin-1-yl)-5-methyl-3-pyridinyl]ethanone has a molecular weight of 424.93 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-2-[6-(4-hydroxypiperidin-1-yl)-5-methyl-3-pyridinyl]ethanone is sourced from PubChem (CID 161108149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).