3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-1-(5-methyl-1-pyridin-4-ylpyrazol-4-yl)propan-1-one;hydrochloride

C22H24Cl3N5O — CID 18545388

IUPAC3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-1-(5-methyl-1-pyridin-4-ylpyrazol-4-yl)propan-1-one;hydrochloride
SMILESCc1c(C(=O)CCN2CCN(c3cc(Cl)cc(Cl)c3)CC2)cnn1-c1ccncc1.Cl
InChIInChI=1S/C22H23Cl2N5O.ClH/c1-16-21(15-26-29(16)19-2-5-25-6-3-19)22(30)4-7-27-8-10-28(11-9-27)20-13-17(23)12-18(24)14-20;/h2-3,5-6,12-15H,4,7-11H2,1H3;1H
InChIKeyRUOOBIVTLDEUNH-UHFFFAOYSA-N
MW480.83 g/mol
LogP4.70
Rot. Bonds6

About 3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-1-(5-methyl-1-pyridin-4-ylpyrazol-4-yl)propan-1-one;hydrochloride

3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-1-(5-methyl-1-pyridin-4-ylpyrazol-4-yl)propan-1-one;hydrochloride (PubChem CID 18545388) has the molecular formula C22H24Cl3N5O and a molecular weight of 480.83 g/mol. Its IUPAC name is 3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-1-(5-methyl-1-pyridin-4-ylpyrazol-4-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-1-(5-methyl-1-pyridin-4-ylpyrazol-4-yl)propan-1-one;hydrochloride
PubChem CID18545388
Molecular FormulaC22H24Cl3N5O
Molecular Weight480.83 g/mol
Exact Mass479.10
IUPAC Name3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-1-(5-methyl-1-pyridin-4-ylpyrazol-4-yl)propan-1-one;hydrochloride
SMILESCc1c(C(=O)CCN2CCN(c3cc(Cl)cc(Cl)c3)CC2)cnn1-c1ccncc1.Cl
InChIInChI=1S/C22H23Cl2N5O.ClH/c1-16-21(15-26-29(16)19-2-5-25-6-3-19)22(30)4-7-27-8-10-28(11-9-27)20-13-17(23)12-18(24)14-20;/h2-3,5-6,12-15H,4,7-11H2,1H3;1H
InChIKeyRUOOBIVTLDEUNH-UHFFFAOYSA-N
XLogP4.70
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.83
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-1-[1-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-4-yl]propan-1-one;hydrochloride
CID 22097335
3-[4-(3-chloro-5-fluorophenyl)piperazin-1-yl]-1-[1-(3-chloro-2-pyridinyl)-5-methylpyrazol-4-yl]propan-1-one;hydrochloride
CID 18545408
3-[4-(3-fluoro-5-iodophenyl)piperazin-1-yl]-1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)propan-1-one
CID 11168356
3-[4-[3-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-oxopropyl]piperazin-1-yl]benzonitrile;hydrochloride
CID 22097363
3-fluoro-5-[4-[3-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-oxopropyl]piperazin-1-yl]benzonitrile
CID 11154339
1-[(E)-3-[1-(5-chloro-2-pyridinyl)-5-methylpyrazol-4-yl]prop-2-enyl]-4-(3,5-dichlorophenyl)piperazine;hydrochloride
CID 18545339
2-bromo-1-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]ethanone
CID 89182938
1-(4-chlorophenyl)-N-[3-cyano-4-[4-(3-pyridin-3-ylpropyl)piperazin-1-yl]phenyl]-5-methylpyrazole-4-carboxamide
CID 22227979
(7-chloro-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(5-methyl-1-pyridin-4-ylpyrazol-4-yl)methanone
CID 119033625
ethyl 5-(4-pyridin-4-ylpiperazin-1-yl)pentanoate
CID 21462657
1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl chloride
CID 2776128
1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one;hydrochloride
CID 22097364

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-1-(5-methyl-1-pyridin-4-ylpyrazol-4-yl)propan-1-one;hydrochloride?
The IUPAC name of 3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-1-(5-methyl-1-pyridin-4-ylpyrazol-4-yl)propan-1-one;hydrochloride (CID 18545388) is 3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-1-(5-methyl-1-pyridin-4-ylpyrazol-4-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-1-(5-methyl-1-pyridin-4-ylpyrazol-4-yl)propan-1-one;hydrochloride?
The canonical SMILES for 3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-1-(5-methyl-1-pyridin-4-ylpyrazol-4-yl)propan-1-one;hydrochloride is Cc1c(C(=O)CCN2CCN(c3cc(Cl)cc(Cl)c3)CC2)cnn1-c1ccncc1.Cl.
What is the InChIKey of 3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-1-(5-methyl-1-pyridin-4-ylpyrazol-4-yl)propan-1-one;hydrochloride?
The InChIKey is RUOOBIVTLDEUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N5O.ClH/c1-16-21(15-26-29(16)19-2-5-25-6-3-19)22(30)4-7-27-8-10-28(11-9-27)20-13-17(23)12-18(24)14-20;/h2-3,5-6,12-15H,4,7-11H2,1H3;1H.
What are the key properties of 3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-1-(5-methyl-1-pyridin-4-ylpyrazol-4-yl)propan-1-one;hydrochloride?
3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-1-(5-methyl-1-pyridin-4-ylpyrazol-4-yl)propan-1-one;hydrochloride has a molecular weight of 480.83 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-1-(5-methyl-1-pyridin-4-ylpyrazol-4-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 18545388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).