1-[4-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]ethanone

C21H24ClN5O — CID 23559195

IUPAC1-[4-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]ethanone
SMILESCC(=O)C1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2C2=CC=NCC2)CCN1C
InChIInChI=1S/C21H24ClN5O/c1-14(28)18-13-27(12-11-26(18)2)21-19(15-7-9-23-10-8-15)20(24-25-21)16-3-5-17(22)6-4-16/h3-7,9,18H,8,10-13H2,1-2H3,(H,24,25)
InChIKeyARIOZUADUOSUHV-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.30
Rot. Bonds4

About 1-[4-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]ethanone

1-[4-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]ethanone (PubChem CID 23559195) has the molecular formula C21H24ClN5O and a molecular weight of 397.91 g/mol. Its IUPAC name is 1-[4-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]ethanone
PubChem CID23559195
Molecular FormulaC21H24ClN5O
Molecular Weight397.91 g/mol
Exact Mass397.17
IUPAC Name1-[4-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]ethanone
SMILESCC(=O)C1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2C2=CC=NCC2)CCN1C
InChIInChI=1S/C21H24ClN5O/c1-14(28)18-13-27(12-11-26(18)2)21-19(15-7-9-23-10-8-15)20(24-25-21)16-3-5-17(22)6-4-16/h3-7,9,18H,8,10-13H2,1-2H3,(H,24,25)
InChIKeyARIOZUADUOSUHV-UHFFFAOYSA-N
XLogP3.30
TPSA64.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]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

4-[4-(2,3-dihydropyridin-4-yl)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazine-2-carboxamide
CID 22953848
N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine
CID 22954129
N-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-cyclopropylpiperidin-4-amine
CID 23559286
4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-2-carboxamide
CID 22037760
4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine
CID 22037585
1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-cyclopropylpiperazine
CID 22037242
1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine
CID 57304022
sodium 4-[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxobutanoate
CID 139926086
1-[(2R)-4-[(2S)-13-chloro-6-fluoro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]-1-methylpiperazin-2-yl]ethanone
CID 59880935
[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 86813315
2-tert-butyl-4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-1-carboxylic acid;triazine
CID 174424755
2-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,4-dihydro-1H-isoquinoline
CID 22953665

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]ethanone?
The IUPAC name of 1-[4-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]ethanone (CID 23559195) is 1-[4-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]ethanone?
The canonical SMILES for 1-[4-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]ethanone is CC(=O)C1CN(c2n[nH]c(-c3ccc(Cl)cc3)c2C2=CC=NCC2)CCN1C.
What is the InChIKey of 1-[4-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]ethanone?
The InChIKey is ARIOZUADUOSUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O/c1-14(28)18-13-27(12-11-26(18)2)21-19(15-7-9-23-10-8-15)20(24-25-21)16-3-5-17(22)6-4-16/h3-7,9,18H,8,10-13H2,1-2H3,(H,24,25).
What are the key properties of 1-[4-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]ethanone?
1-[4-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]ethanone has a molecular weight of 397.91 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(4-chlorophenyl)-4-(2,3-dihydropyridin-4-yl)-1H-pyrazol-3-yl]-1-methylpiperazin-2-yl]ethanone is sourced from PubChem (CID 23559195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).