2-[[3,5-dimethyl-1-(piperidine-1-carbonyl)pyrazol-4-yl]methyl]isoindole-1,3-dione

C20H22N4O3 — CID 1302072

IUPAC2-[[3,5-dimethyl-1-(piperidine-1-carbonyl)pyrazol-4-yl]methyl]isoindole-1,3-dione
SMILESCc1nn(C(=O)N2CCCCC2)c(C)c1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H22N4O3/c1-13-17(12-23-18(25)15-8-4-5-9-16(15)19(23)26)14(2)24(21-13)20(27)22-10-6-3-7-11-22/h4-5,8-9H,3,6-7,10-12H2,1-2H3
InChIKeyZXZMZLQXOSHACE-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.75
Rot. Bonds2

About 2-[[3,5-dimethyl-1-(piperidine-1-carbonyl)pyrazol-4-yl]methyl]isoindole-1,3-dione

2-[[3,5-dimethyl-1-(piperidine-1-carbonyl)pyrazol-4-yl]methyl]isoindole-1,3-dione (PubChem CID 1302072) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[[3,5-dimethyl-1-(piperidine-1-carbonyl)pyrazol-4-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[3,5-dimethyl-1-(piperidine-1-carbonyl)pyrazol-4-yl]methyl]isoindole-1,3-dione
PubChem CID1302072
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-[[3,5-dimethyl-1-(piperidine-1-carbonyl)pyrazol-4-yl]methyl]isoindole-1,3-dione
SMILESCc1nn(C(=O)N2CCCCC2)c(C)c1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H22N4O3/c1-13-17(12-23-18(25)15-8-4-5-9-16(15)19(23)26)14(2)24(21-13)20(27)22-10-6-3-7-11-22/h4-5,8-9H,3,6-7,10-12H2,1-2H3
InChIKeyZXZMZLQXOSHACE-UHFFFAOYSA-N
XLogP2.75
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dimethyl-1-(piperidine-1-carbonyl)pyrazol-4-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[3,5-dimethyl-1-(piperidine-1-carbonyl)pyrazol-4-yl]methyl]isoindole-1,3-dione (CID 1302072) is 2-[[3,5-dimethyl-1-(piperidine-1-carbonyl)pyrazol-4-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[3,5-dimethyl-1-(piperidine-1-carbonyl)pyrazol-4-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[3,5-dimethyl-1-(piperidine-1-carbonyl)pyrazol-4-yl]methyl]isoindole-1,3-dione is Cc1nn(C(=O)N2CCCCC2)c(C)c1CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[[3,5-dimethyl-1-(piperidine-1-carbonyl)pyrazol-4-yl]methyl]isoindole-1,3-dione?
The InChIKey is ZXZMZLQXOSHACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-17(12-23-18(25)15-8-4-5-9-16(15)19(23)26)14(2)24(21-13)20(27)22-10-6-3-7-11-22/h4-5,8-9H,3,6-7,10-12H2,1-2H3.
What are the key properties of 2-[[3,5-dimethyl-1-(piperidine-1-carbonyl)pyrazol-4-yl]methyl]isoindole-1,3-dione?
2-[[3,5-dimethyl-1-(piperidine-1-carbonyl)pyrazol-4-yl]methyl]isoindole-1,3-dione has a molecular weight of 366.42 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-dimethyl-1-(piperidine-1-carbonyl)pyrazol-4-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 1302072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).