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

C26H30ClN5O2 — CID 20924097

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone
SMILESCOc1ccc(-n2ncc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c2C2CCNCC2)cc1
InChIInChI=1S/C26H30ClN5O2/c1-34-23-7-5-21(6-8-23)32-25(19-9-11-28-12-10-19)24(18-29-32)26(33)31-15-13-30(14-16-31)22-4-2-3-20(27)17-22/h2-8,17-19,28H,9-16H2,1H3
InChIKeyHOCHEIQLQDUZHG-UHFFFAOYSA-N
MW480.01 g/mol
LogP3.96
Rot. Bonds5

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

[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone (PubChem CID 20924097) has the molecular formula C26H30ClN5O2 and a molecular weight of 480.01 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone
PubChem CID20924097
Molecular FormulaC26H30ClN5O2
Molecular Weight480.01 g/mol
Exact Mass479.21
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone
SMILESCOc1ccc(-n2ncc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c2C2CCNCC2)cc1
InChIInChI=1S/C26H30ClN5O2/c1-34-23-7-5-21(6-8-23)32-25(19-9-11-28-12-10-19)24(18-29-32)26(33)31-15-13-30(14-16-31)22-4-2-3-20(27)17-22/h2-8,17-19,28H,9-16H2,1H3
InChIKeyHOCHEIQLQDUZHG-UHFFFAOYSA-N
XLogP3.96
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.01
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone
CID 20918581
[1-(3-fluorophenyl)-5-piperidin-4-ylpyrazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 20924189
[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
tert-butyl 4-[1-(4-chlorophenyl)-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrazol-5-yl]piperidine-1-carboxylate
CID 46280465
[4-(4-nitrophenyl)piperazin-1-yl]-(1-phenyl-5-piperidin-4-ylpyrazol-4-yl)methanone;hydrochloride
CID 146053307
N,1-bis(4-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953785
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924020
[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
5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
CID 63173747
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone
CID 126058914

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone (CID 20924097) is [4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone is COc1ccc(-n2ncc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c2C2CCNCC2)cc1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone?
The InChIKey is HOCHEIQLQDUZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O2/c1-34-23-7-5-21(6-8-23)32-25(19-9-11-28-12-10-19)24(18-29-32)26(33)31-15-13-30(14-16-31)22-4-2-3-20(27)17-22/h2-8,17-19,28H,9-16H2,1H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone has a molecular weight of 480.01 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone is sourced from PubChem (CID 20924097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).