2-(2-methylpyrazol-3-yl)naphthalen-1-ol

C14H12N2O — CID 135453834

IUPAC2-(2-methylpyrazol-3-yl)naphthalen-1-ol
SMILESCn1nccc1-c1ccc2ccccc2c1O
InChIInChI=1S/C14H12N2O/c1-16-13(8-9-15-16)12-7-6-10-4-2-3-5-11(10)14(12)17/h2-9,17H,1H3
InChIKeyOXIIJGCTXLDKSK-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.95
Rot. Bonds1

About 2-(2-methylpyrazol-3-yl)naphthalen-1-ol

2-(2-methylpyrazol-3-yl)naphthalen-1-ol (PubChem CID 135453834) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)naphthalen-1-ol.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)naphthalen-1-ol
PubChem CID135453834
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-(2-methylpyrazol-3-yl)naphthalen-1-ol
SMILESCn1nccc1-c1ccc2ccccc2c1O
InChIInChI=1S/C14H12N2O/c1-16-13(8-9-15-16)12-7-6-10-4-2-3-5-11(10)14(12)17/h2-9,17H,1H3
InChIKeyOXIIJGCTXLDKSK-UHFFFAOYSA-N
XLogP2.95
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)naphthalen-1-ol?
The IUPAC name of 2-(2-methylpyrazol-3-yl)naphthalen-1-ol (CID 135453834) is 2-(2-methylpyrazol-3-yl)naphthalen-1-ol.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)naphthalen-1-ol?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)naphthalen-1-ol is Cn1nccc1-c1ccc2ccccc2c1O.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)naphthalen-1-ol?
The InChIKey is OXIIJGCTXLDKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-16-13(8-9-15-16)12-7-6-10-4-2-3-5-11(10)14(12)17/h2-9,17H,1H3.
What are the key properties of 2-(2-methylpyrazol-3-yl)naphthalen-1-ol?
2-(2-methylpyrazol-3-yl)naphthalen-1-ol has a molecular weight of 224.26 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)naphthalen-1-ol is sourced from PubChem (CID 135453834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).