2-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]pyrazol-1-yl]ethanol

C19H19N3O — CID 141336990

IUPAC2-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2ccc(N3Cc4ccccc4C3)cc2)cn1
InChIInChI=1S/C19H19N3O/c23-10-9-22-14-18(11-20-22)15-5-7-19(8-6-15)21-12-16-3-1-2-4-17(16)13-21/h1-8,11,14,23H,9-10,12-13H2
InChIKeyVSPZFHYCYBIUSK-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.06
Rot. Bonds4

About 2-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]pyrazol-1-yl]ethanol

2-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]pyrazol-1-yl]ethanol (PubChem CID 141336990) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]pyrazol-1-yl]ethanol
PubChem CID141336990
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2ccc(N3Cc4ccccc4C3)cc2)cn1
InChIInChI=1S/C19H19N3O/c23-10-9-22-14-18(11-20-22)15-5-7-19(8-6-15)21-12-16-3-1-2-4-17(16)13-21/h1-8,11,14,23H,9-10,12-13H2
InChIKeyVSPZFHYCYBIUSK-UHFFFAOYSA-N
XLogP3.06
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]pyrazol-1-yl]ethanol (CID 141336990) is 2-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]pyrazol-1-yl]ethanol is OCCn1cc(-c2ccc(N3Cc4ccccc4C3)cc2)cn1.
What is the InChIKey of 2-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]pyrazol-1-yl]ethanol?
The InChIKey is VSPZFHYCYBIUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c23-10-9-22-14-18(11-20-22)15-5-7-19(8-6-15)21-12-16-3-1-2-4-17(16)13-21/h1-8,11,14,23H,9-10,12-13H2.
What are the key properties of 2-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]pyrazol-1-yl]ethanol?
2-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]pyrazol-1-yl]ethanol has a molecular weight of 305.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 141336990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).