2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(1-hydroxyisoindol-2-yl)phenyl]piperazin-1-yl]ethanone

C25H27N5O2 — CID 90778470

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(1-hydroxyisoindol-2-yl)phenyl]piperazin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCN(c3ccccc3-n3cc4ccccc4c3O)CC2)n1
InChIInChI=1S/C25H27N5O2/c1-18-15-19(2)30(26-18)17-24(31)28-13-11-27(12-14-28)22-9-5-6-10-23(22)29-16-20-7-3-4-8-21(20)25(29)32/h3-10,15-16,32H,11-14,17H2,1-2H3
InChIKeyPCUQDNLBHMIYFZ-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.50
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(1-hydroxyisoindol-2-yl)phenyl]piperazin-1-yl]ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(1-hydroxyisoindol-2-yl)phenyl]piperazin-1-yl]ethanone (PubChem CID 90778470) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(1-hydroxyisoindol-2-yl)phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(1-hydroxyisoindol-2-yl)phenyl]piperazin-1-yl]ethanone
PubChem CID90778470
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(1-hydroxyisoindol-2-yl)phenyl]piperazin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCN(c3ccccc3-n3cc4ccccc4c3O)CC2)n1
InChIInChI=1S/C25H27N5O2/c1-18-15-19(2)30(26-18)17-24(31)28-13-11-27(12-14-28)22-9-5-6-10-23(22)29-16-20-7-3-4-8-21(20)25(29)32/h3-10,15-16,32H,11-14,17H2,1-2H3
InChIKeyPCUQDNLBHMIYFZ-UHFFFAOYSA-N
XLogP3.50
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 27007991
5-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]-1H-pyridin-2-one
CID 70833974
2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]-N-(1-methylbenzimidazol-2-yl)benzamide
CID 59548753
2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(5-phenylthiophen-2-yl)phenyl]piperazin-1-yl]ethanone
CID 59564554
N-[4-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]phenyl]acetamide
CID 59564405
3-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]phenyl]-N-methylbenzamide
CID 59564347
1-[4-[2-[4-(dimethylaminosulfanyl)phenyl]phenyl]piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 91567556
2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(4-ethoxyphenyl)phenyl]piperazin-1-yl]ethanone
CID 59564501
2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2-ethoxypyrimidin-5-yl)phenyl]piperazin-1-yl]ethanone
CID 59564527
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 27009750
2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[2-[methyl(methylidene)-λ4-sulfanyl]pyrimidin-5-yl]phenyl]piperazin-1-yl]ethanone
CID 91199354
2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]piperazin-1-yl]ethanone
CID 59564469

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(1-hydroxyisoindol-2-yl)phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(1-hydroxyisoindol-2-yl)phenyl]piperazin-1-yl]ethanone (CID 90778470) is 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(1-hydroxyisoindol-2-yl)phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(1-hydroxyisoindol-2-yl)phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(1-hydroxyisoindol-2-yl)phenyl]piperazin-1-yl]ethanone is Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3-n3cc4ccccc4c3O)CC2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(1-hydroxyisoindol-2-yl)phenyl]piperazin-1-yl]ethanone?
The InChIKey is PCUQDNLBHMIYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-18-15-19(2)30(26-18)17-24(31)28-13-11-27(12-14-28)22-9-5-6-10-23(22)29-16-20-7-3-4-8-21(20)25(29)32/h3-10,15-16,32H,11-14,17H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(1-hydroxyisoindol-2-yl)phenyl]piperazin-1-yl]ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(1-hydroxyisoindol-2-yl)phenyl]piperazin-1-yl]ethanone has a molecular weight of 429.52 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(1-hydroxyisoindol-2-yl)phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 90778470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).