[4-(3-chlorophenyl)piperazin-1-yl]-[5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]methanone

C28H27ClN4O2 — CID 44578772

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)nn2-c2ccc(C)cc2)c1
InChIInChI=1S/C28H27ClN4O2/c1-20-9-11-23(12-10-20)33-27(21-5-3-8-25(17-21)35-2)19-26(30-33)28(34)32-15-13-31(14-16-32)24-7-4-6-22(29)18-24/h3-12,17-19H,13-16H2,1-2H3
InChIKeyUAHNACNOMGLOPA-UHFFFAOYSA-N
MW487.00 g/mol
LogP5.47
Rot. Bonds5

About [4-(3-chlorophenyl)piperazin-1-yl]-[5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]methanone

[4-(3-chlorophenyl)piperazin-1-yl]-[5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]methanone (PubChem CID 44578772) has the molecular formula C28H27ClN4O2 and a molecular weight of 487.00 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]methanone
PubChem CID44578772
Molecular FormulaC28H27ClN4O2
Molecular Weight487.00 g/mol
Exact Mass486.18
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)nn2-c2ccc(C)cc2)c1
InChIInChI=1S/C28H27ClN4O2/c1-20-9-11-23(12-10-20)33-27(21-5-3-8-25(17-21)35-2)19-26(30-33)28(34)32-15-13-31(14-16-32)24-7-4-6-22(29)18-24/h3-12,17-19H,13-16H2,1-2H3
InChIKeyUAHNACNOMGLOPA-UHFFFAOYSA-N
XLogP5.47
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.00
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 20953562
N-(3-Chlorophenyl)-2-[2-(4-methoxyphenyl)-7-methyl-4-oxo-4H,5H-pyrazolo[1,5-D][1,2,4]triazin-5-YL]acetamide
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(3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl)(4-(2-methoxyphenyl)piperazin-1-yl)methanone
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(5-(4-chlorophenyl)-1-methyl-1H-pyrazol-3-yl)(4-(2-methoxyphenyl)piperazin-1-yl)methanone
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[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone
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[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-piperidin-1-ylmethanone
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[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
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Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]methanone (CID 44578772) is [4-(3-chlorophenyl)piperazin-1-yl]-[5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]methanone is COc1cccc(-c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)nn2-c2ccc(C)cc2)c1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]methanone?
The InChIKey is UAHNACNOMGLOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN4O2/c1-20-9-11-23(12-10-20)33-27(21-5-3-8-25(17-21)35-2)19-26(30-33)28(34)32-15-13-31(14-16-32)24-7-4-6-22(29)18-24/h3-12,17-19H,13-16H2,1-2H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]methanone has a molecular weight of 487.00 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-[5-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 44578772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).