[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone

C25H27Cl2N5O — CID 20918581

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone
SMILESO=C(c1cnn(-c2ccc(Cl)cc2)c1C1CCNCC1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C25H27Cl2N5O/c26-19-4-6-21(7-5-19)32-24(18-8-10-28-11-9-18)23(17-29-32)25(33)31-14-12-30(13-15-31)22-3-1-2-20(27)16-22/h1-7,16-18,28H,8-15H2
InChIKeyLFZUXPCXYMYYCL-UHFFFAOYSA-N
MW484.43 g/mol
LogP4.61
Rot. Bonds4

About [4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone

[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone (PubChem CID 20918581) has the molecular formula C25H27Cl2N5O and a molecular weight of 484.43 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone
PubChem CID20918581
Molecular FormulaC25H27Cl2N5O
Molecular Weight484.43 g/mol
Exact Mass483.16
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone
SMILESO=C(c1cnn(-c2ccc(Cl)cc2)c1C1CCNCC1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C25H27Cl2N5O/c26-19-4-6-21(7-5-19)32-24(18-8-10-28-11-9-18)23(17-29-32)25(33)31-14-12-30(13-15-31)22-3-1-2-20(27)16-22/h1-7,16-18,28H,8-15H2
InChIKeyLFZUXPCXYMYYCL-UHFFFAOYSA-N
XLogP4.61
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone
CID 20924097
[1-(4-methylphenyl)-5-piperidin-4-ylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 20953845
[1-(4-methylphenyl)-5-piperidin-4-ylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone;hydrochloride
CID 146059766
[4-(4-nitrophenyl)piperazin-1-yl]-(1-phenyl-5-piperidin-4-ylpyrazol-4-yl)methanone;hydrochloride
CID 146053307
[1-(3-fluorophenyl)-5-piperidin-4-ylpyrazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 20924189
[4-(2,4-dimethylphenyl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone
CID 20924227
[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 119402776
tert-butyl 4-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-(3-fluorophenyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 46281370
(4-methylpiperazin-1-yl)-[1-(4-nitrophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone
CID 46280255
[1-(2-chlorophenyl)-5-piperidin-4-ylpyrazol-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 146053322
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone
CID 16596749
N-(4-chlorophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053171

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone (CID 20918581) is [4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone is O=C(c1cnn(-c2ccc(Cl)cc2)c1C1CCNCC1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone?
The InChIKey is LFZUXPCXYMYYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl2N5O/c26-19-4-6-21(7-5-19)32-24(18-8-10-28-11-9-18)23(17-29-32)25(33)31-14-12-30(13-15-31)22-3-1-2-20(27)16-22/h1-7,16-18,28H,8-15H2.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone has a molecular weight of 484.43 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone is sourced from PubChem (CID 20918581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).