2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-1-ol

C23H22N2O — CID 135465515

IUPAC2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-1-ol
SMILESCc1cc(-c2ccc3ccccc3c2O)nn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C23H22N2O/c1-15(2)17-8-11-19(12-9-17)25-16(3)14-22(24-25)21-13-10-18-6-4-5-7-20(18)23(21)26/h4-15,26H,1-3H3
InChIKeyDIQUGERRAPBYBY-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.83
Rot. Bonds3

About 2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-1-ol

2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-1-ol (PubChem CID 135465515) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-1-ol
PubChem CID135465515
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-1-ol
SMILESCc1cc(-c2ccc3ccccc3c2O)nn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C23H22N2O/c1-15(2)17-8-11-19(12-9-17)25-16(3)14-22(24-25)21-13-10-18-6-4-5-7-20(18)23(21)26/h4-15,26H,1-3H3
InChIKeyDIQUGERRAPBYBY-UHFFFAOYSA-N
XLogP5.83
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-1-ol?
The IUPAC name of 2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-1-ol (CID 135465515) is 2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-1-ol.
What is the SMILES notation for 2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-1-ol?
The canonical SMILES for 2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-1-ol is Cc1cc(-c2ccc3ccccc3c2O)nn1-c1ccc(C(C)C)cc1.
What is the InChIKey of 2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-1-ol?
The InChIKey is DIQUGERRAPBYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-15(2)17-8-11-19(12-9-17)25-16(3)14-22(24-25)21-13-10-18-6-4-5-7-20(18)23(21)26/h4-15,26H,1-3H3.
What are the key properties of 2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-1-ol?
2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-1-ol has a molecular weight of 342.44 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-1-ol is sourced from PubChem (CID 135465515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).