5-pyrazol-1-yl-2,3-dihydro-1H-isoindole

C11H11N3 — CID 166850817

IUPAC5-pyrazol-1-yl-2,3-dihydro-1H-isoindole
SMILESc1cnn(-c2ccc3c(c2)CNC3)c1
InChIInChI=1S/C11H11N3/c1-4-13-14(5-1)11-3-2-9-7-12-8-10(9)6-11/h1-6,12H,7-8H2
InChIKeyUAGJILOPAYUDAO-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.48
Rot. Bonds1

About 5-pyrazol-1-yl-2,3-dihydro-1H-isoindole

5-pyrazol-1-yl-2,3-dihydro-1H-isoindole (PubChem CID 166850817) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 5-pyrazol-1-yl-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name5-pyrazol-1-yl-2,3-dihydro-1H-isoindole
PubChem CID166850817
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name5-pyrazol-1-yl-2,3-dihydro-1H-isoindole
SMILESc1cnn(-c2ccc3c(c2)CNC3)c1
InChIInChI=1S/C11H11N3/c1-4-13-14(5-1)11-3-2-9-7-12-8-10(9)6-11/h1-6,12H,7-8H2
InChIKeyUAGJILOPAYUDAO-UHFFFAOYSA-N
XLogP1.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-pyrazol-1-yl-2,3-dihydro-1H-isoindole?
The IUPAC name of 5-pyrazol-1-yl-2,3-dihydro-1H-isoindole (CID 166850817) is 5-pyrazol-1-yl-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 5-pyrazol-1-yl-2,3-dihydro-1H-isoindole?
The canonical SMILES for 5-pyrazol-1-yl-2,3-dihydro-1H-isoindole is c1cnn(-c2ccc3c(c2)CNC3)c1.
What is the InChIKey of 5-pyrazol-1-yl-2,3-dihydro-1H-isoindole?
The InChIKey is UAGJILOPAYUDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-4-13-14(5-1)11-3-2-9-7-12-8-10(9)6-11/h1-6,12H,7-8H2.
What are the key properties of 5-pyrazol-1-yl-2,3-dihydro-1H-isoindole?
5-pyrazol-1-yl-2,3-dihydro-1H-isoindole has a molecular weight of 185.23 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrazol-1-yl-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 166850817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).