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

C23H22N2O — CID 135465499

IUPAC1-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-2-ol
SMILESCc1cc(-c2c(O)ccc3ccccc23)nn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C23H22N2O/c1-15(2)17-8-11-19(12-9-17)25-16(3)14-21(24-25)23-20-7-5-4-6-18(20)10-13-22(23)26/h4-15,26H,1-3H3
InChIKeyRLXXTRTVRHAYQY-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.83
Rot. Bonds3

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

1-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-2-ol (PubChem CID 135465499) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-2-ol
PubChem CID135465499
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name1-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-2-ol
SMILESCc1cc(-c2c(O)ccc3ccccc23)nn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C23H22N2O/c1-15(2)17-8-11-19(12-9-17)25-16(3)14-21(24-25)23-20-7-5-4-6-18(20)10-13-22(23)26/h4-15,26H,1-3H3
InChIKeyRLXXTRTVRHAYQY-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 1-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-2-ol?
The IUPAC name of 1-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-2-ol (CID 135465499) is 1-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-2-ol?
The canonical SMILES for 1-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-2-ol is Cc1cc(-c2c(O)ccc3ccccc23)nn1-c1ccc(C(C)C)cc1.
What is the InChIKey of 1-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-2-ol?
The InChIKey is RLXXTRTVRHAYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-15(2)17-8-11-19(12-9-17)25-16(3)14-21(24-25)23-20-7-5-4-6-18(20)10-13-22(23)26/h4-15,26H,1-3H3.
What are the key properties of 1-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-2-ol?
1-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-2-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 1-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]naphthalen-2-ol is sourced from PubChem (CID 135465499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).