4-chloro-5-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-2-phenyl-1H-pyrazol-3-one

C24H29ClN4O — CID 69379759

IUPAC4-chloro-5-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-2-phenyl-1H-pyrazol-3-one
SMILESCc1ccc(N2CCN(CCCc3[nH]n(-c4ccccc4)c(=O)c3Cl)CC2)c(C)c1
InChIInChI=1S/C24H29ClN4O/c1-18-10-11-22(19(2)17-18)28-15-13-27(14-16-28)12-6-9-21-23(25)24(30)29(26-21)20-7-4-3-5-8-20/h3-5,7-8,10-11,17,26H,6,9,12-16H2,1-2H3
InChIKeyNYJZIHYMFPZKHP-UHFFFAOYSA-N
MW424.98 g/mol
LogP4.19
Rot. Bonds6

About 4-chloro-5-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-2-phenyl-1H-pyrazol-3-one

4-chloro-5-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-2-phenyl-1H-pyrazol-3-one (PubChem CID 69379759) has the molecular formula C24H29ClN4O and a molecular weight of 424.98 g/mol. Its IUPAC name is 4-chloro-5-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-chloro-5-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-2-phenyl-1H-pyrazol-3-one
PubChem CID69379759
Molecular FormulaC24H29ClN4O
Molecular Weight424.98 g/mol
Exact Mass424.20
IUPAC Name4-chloro-5-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-2-phenyl-1H-pyrazol-3-one
SMILESCc1ccc(N2CCN(CCCc3[nH]n(-c4ccccc4)c(=O)c3Cl)CC2)c(C)c1
InChIInChI=1S/C24H29ClN4O/c1-18-10-11-22(19(2)17-18)28-15-13-27(14-16-28)12-6-9-21-23(25)24(30)29(26-21)20-7-4-3-5-8-20/h3-5,7-8,10-11,17,26H,6,9,12-16H2,1-2H3
InChIKeyNYJZIHYMFPZKHP-UHFFFAOYSA-N
XLogP4.19
TPSA44.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.98
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenyl)-4-[3-(1-phenyl-3-propylpyrazol-5-yl)propyl]piperazine
CID 68559968
1-(2,4-dimethylphenyl)-4-[3-(1,5-diphenylpyrazol-3-yl)propyl]piperazine
CID 25065047
1-(2-chloroethyl)-4-(2,4-dimethylphenyl)piperazine
CID 4741820
4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23962263
4,5-dichloro-2-phenyl-1H-pyridazine-3,6-dione
CID 796608
3-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
CID 10664387
3-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-5-methyl-1H-pyrimidine-2,4-dione
CID 71034112
1-(2-methylphenyl)-4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]piperazine
CID 15575696
2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224502
6-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroquinoxaline-2,3-dione
CID 11089822
1-[3-(1-tert-butyl-5-thiophen-2-ylpyrazol-3-yl)propyl]-4-(2,4-dimethylphenyl)piperazine
CID 68557089
3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-ol
CID 15572518

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 4-chloro-5-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-2-phenyl-1H-pyrazol-3-one (CID 69379759) is 4-chloro-5-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-chloro-5-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 4-chloro-5-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-2-phenyl-1H-pyrazol-3-one is Cc1ccc(N2CCN(CCCc3[nH]n(-c4ccccc4)c(=O)c3Cl)CC2)c(C)c1.
What is the InChIKey of 4-chloro-5-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-2-phenyl-1H-pyrazol-3-one?
The InChIKey is NYJZIHYMFPZKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O/c1-18-10-11-22(19(2)17-18)28-15-13-27(14-16-28)12-6-9-21-23(25)24(30)29(26-21)20-7-4-3-5-8-20/h3-5,7-8,10-11,17,26H,6,9,12-16H2,1-2H3.
What are the key properties of 4-chloro-5-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-2-phenyl-1H-pyrazol-3-one?
4-chloro-5-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-2-phenyl-1H-pyrazol-3-one has a molecular weight of 424.98 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 69379759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).