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

C29H30N4O2 — CID 38574853

IUPAC[1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cn(Cc4ccccc4)nc3-c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C29H30N4O2/c1-22-11-13-24(14-12-22)28-27(21-33(30-28)20-23-7-4-3-5-8-23)29(34)32-17-15-31(16-18-32)25-9-6-10-26(19-25)35-2/h3-14,19,21H,15-18,20H2,1-2H3
InChIKeyYGLMKCFHDXTHDW-UHFFFAOYSA-N
MW466.59 g/mol
LogP4.88
Rot. Bonds6

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

[1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 38574853) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is [1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID38574853
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC Name[1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cn(Cc4ccccc4)nc3-c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C29H30N4O2/c1-22-11-13-24(14-12-22)28-27(21-33(30-28)20-23-7-4-3-5-8-23)29(34)32-17-15-31(16-18-32)25-9-6-10-26(19-25)35-2/h3-14,19,21H,15-18,20H2,1-2H3
InChIKeyYGLMKCFHDXTHDW-UHFFFAOYSA-N
XLogP4.88
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31566098
(1,3-diphenylpyrazol-4-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574762
[4-[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 55849958
1-[4-[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 134061676
(4-aminopiperidin-1-yl)-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methanone;hydrochloride
CID 119374601
[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400241
[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-(1,4-diazepan-1-yl)methanone
CID 119416124
2-[4-[1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 60601188
[1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone
CID 8006130
[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43002761
[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 25360793
[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 43016854

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 38574853) is [1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)c3cn(Cc4ccccc4)nc3-c3ccc(C)cc3)CC2)c1.
What is the InChIKey of [1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is YGLMKCFHDXTHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c1-22-11-13-24(14-12-22)28-27(21-33(30-28)20-23-7-4-3-5-8-23)29(34)32-17-15-31(16-18-32)25-9-6-10-26(19-25)35-2/h3-14,19,21H,15-18,20H2,1-2H3.
What are the key properties of [1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
[1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 466.59 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-3-(4-methylphenyl)pyrazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 38574853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).