1-naphthalen-1-ylpyrazole

C13H10N2 — CID 647305

IUPAC1-naphthalen-1-ylpyrazole
SMILESc1ccc2c(-n3cccn3)cccc2c1
InChIInChI=1S/C13H10N2/c1-2-7-12-11(5-1)6-3-8-13(12)15-10-4-9-14-15/h1-10H
InChIKeyLEQLMZLTHGZUOL-UHFFFAOYSA-N
MW194.24 g/mol
LogP3.03
Rot. Bonds1

About 1-naphthalen-1-ylpyrazole

1-naphthalen-1-ylpyrazole (PubChem CID 647305) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-naphthalen-1-ylpyrazole.

Molecular Properties

Compound Name1-naphthalen-1-ylpyrazole
PubChem CID647305
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name1-naphthalen-1-ylpyrazole
SMILESc1ccc2c(-n3cccn3)cccc2c1
InChIInChI=1S/C13H10N2/c1-2-7-12-11(5-1)6-3-8-13(12)15-10-4-9-14-15/h1-10H
InChIKeyLEQLMZLTHGZUOL-UHFFFAOYSA-N
XLogP3.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylpyrazole?
The IUPAC name of 1-naphthalen-1-ylpyrazole (CID 647305) is 1-naphthalen-1-ylpyrazole.
What is the SMILES notation for 1-naphthalen-1-ylpyrazole?
The canonical SMILES for 1-naphthalen-1-ylpyrazole is c1ccc2c(-n3cccn3)cccc2c1.
What is the InChIKey of 1-naphthalen-1-ylpyrazole?
The InChIKey is LEQLMZLTHGZUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-2-7-12-11(5-1)6-3-8-13(12)15-10-4-9-14-15/h1-10H.
What are the key properties of 1-naphthalen-1-ylpyrazole?
1-naphthalen-1-ylpyrazole has a molecular weight of 194.24 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylpyrazole is sourced from PubChem (CID 647305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).