2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-1-ol

C20H15ClN2O — CID 135465505

IUPAC2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-1-ol
SMILESCc1cc(-c2ccc3ccccc3c2O)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H15ClN2O/c1-13-12-19(23(22-13)16-9-7-15(21)8-10-16)18-11-6-14-4-2-3-5-17(14)20(18)24/h2-12,24H,1H3
InChIKeyJDLSQLNFOVKATC-UHFFFAOYSA-N
MW334.81 g/mol
LogP5.36
Rot. Bonds2

About 2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-1-ol

2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-1-ol (PubChem CID 135465505) has the molecular formula C20H15ClN2O and a molecular weight of 334.81 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-1-ol
PubChem CID135465505
Molecular FormulaC20H15ClN2O
Molecular Weight334.81 g/mol
Exact Mass334.09
IUPAC Name2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-1-ol
SMILESCc1cc(-c2ccc3ccccc3c2O)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H15ClN2O/c1-13-12-19(23(22-13)16-9-7-15(21)8-10-16)18-11-6-14-4-2-3-5-17(14)20(18)24/h2-12,24H,1H3
InChIKeyJDLSQLNFOVKATC-UHFFFAOYSA-N
XLogP5.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.81
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-1-ol?
The IUPAC name of 2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-1-ol (CID 135465505) is 2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-1-ol.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-1-ol?
The canonical SMILES for 2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-1-ol is Cc1cc(-c2ccc3ccccc3c2O)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-1-ol?
The InChIKey is JDLSQLNFOVKATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O/c1-13-12-19(23(22-13)16-9-7-15(21)8-10-16)18-11-6-14-4-2-3-5-17(14)20(18)24/h2-12,24H,1H3.
What are the key properties of 2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-1-ol?
2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-1-ol has a molecular weight of 334.81 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]naphthalen-1-ol is sourced from PubChem (CID 135465505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).