[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C28H28N4O3 — CID 4046397

IUPAC[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)n(-c3ccccc3)n2)c1
InChIInChI=1S/C28H28N4O3/c1-34-23-12-8-9-21(19-23)24-20-26(32(29-24)22-10-4-3-5-11-22)28(33)31-17-15-30(16-18-31)25-13-6-7-14-27(25)35-2/h3-14,19-20H,15-18H2,1-2H3
InChIKeyGKHLLEPUWVSHJK-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.52
Rot. Bonds6

About [3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 4046397) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID4046397
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC Name[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)n(-c3ccccc3)n2)c1
InChIInChI=1S/C28H28N4O3/c1-34-23-12-8-9-21(19-23)24-20-26(32(29-24)22-10-4-3-5-11-22)28(33)31-17-15-30(16-18-31)25-13-6-7-14-27(25)35-2/h3-14,19-20H,15-18H2,1-2H3
InChIKeyGKHLLEPUWVSHJK-UHFFFAOYSA-N
XLogP4.52
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone
CID 4001728
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]methanone
CID 4240574
[3-(4-fluorophenyl)-1-(3-nitrophenyl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4261656
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone
CID 5121699
[1-(4-fluorophenyl)-3-(4-nitrophenyl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42762222
[3-(3-methoxyphenyl)-1-(4-nitrophenyl)pyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 3931977
[4-(2-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 3959522
(4-benzylpiperazin-1-yl)-[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]methanone
CID 42755463
[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]methanone
CID 3651185
6-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 52902771
[3-(2-chlorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3878165
[4-(2-ethylphenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone
CID 10069792

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 4046397) is [3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(-c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)n(-c3ccccc3)n2)c1.
What is the InChIKey of [3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is GKHLLEPUWVSHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-34-23-12-8-9-21(19-23)24-20-26(32(29-24)22-10-4-3-5-11-22)28(33)31-17-15-30(16-18-31)25-13-6-7-14-27(25)35-2/h3-14,19-20H,15-18H2,1-2H3.
What are the key properties of [3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 468.56 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenyl)-1-phenylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 4046397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).