1-(5-methyl-1-phenylpyrazol-3-yl)naphthalen-2-ol

C20H16N2O — CID 135465490

IUPAC1-(5-methyl-1-phenylpyrazol-3-yl)naphthalen-2-ol
SMILESCc1cc(-c2c(O)ccc3ccccc23)nn1-c1ccccc1
InChIInChI=1S/C20H16N2O/c1-14-13-18(21-22(14)16-8-3-2-4-9-16)20-17-10-6-5-7-15(17)11-12-19(20)23/h2-13,23H,1H3
InChIKeySOHMNBKKCXLXKT-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.71
Rot. Bonds2

About 1-(5-methyl-1-phenylpyrazol-3-yl)naphthalen-2-ol

1-(5-methyl-1-phenylpyrazol-3-yl)naphthalen-2-ol (PubChem CID 135465490) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(5-methyl-1-phenylpyrazol-3-yl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(5-methyl-1-phenylpyrazol-3-yl)naphthalen-2-ol
PubChem CID135465490
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name1-(5-methyl-1-phenylpyrazol-3-yl)naphthalen-2-ol
SMILESCc1cc(-c2c(O)ccc3ccccc23)nn1-c1ccccc1
InChIInChI=1S/C20H16N2O/c1-14-13-18(21-22(14)16-8-3-2-4-9-16)20-17-10-6-5-7-15(17)11-12-19(20)23/h2-13,23H,1H3
InChIKeySOHMNBKKCXLXKT-UHFFFAOYSA-N
XLogP4.71
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.71
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-phenylpyrazol-3-yl)naphthalen-2-ol?
The IUPAC name of 1-(5-methyl-1-phenylpyrazol-3-yl)naphthalen-2-ol (CID 135465490) is 1-(5-methyl-1-phenylpyrazol-3-yl)naphthalen-2-ol.
What is the SMILES notation for 1-(5-methyl-1-phenylpyrazol-3-yl)naphthalen-2-ol?
The canonical SMILES for 1-(5-methyl-1-phenylpyrazol-3-yl)naphthalen-2-ol is Cc1cc(-c2c(O)ccc3ccccc23)nn1-c1ccccc1.
What is the InChIKey of 1-(5-methyl-1-phenylpyrazol-3-yl)naphthalen-2-ol?
The InChIKey is SOHMNBKKCXLXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-14-13-18(21-22(14)16-8-3-2-4-9-16)20-17-10-6-5-7-15(17)11-12-19(20)23/h2-13,23H,1H3.
What are the key properties of 1-(5-methyl-1-phenylpyrazol-3-yl)naphthalen-2-ol?
1-(5-methyl-1-phenylpyrazol-3-yl)naphthalen-2-ol has a molecular weight of 300.36 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-phenylpyrazol-3-yl)naphthalen-2-ol is sourced from PubChem (CID 135465490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).