5-naphthalen-1-yl-1H-pyrazole

C13H10N2 — CID 2737035

IUPAC5-naphthalen-1-yl-1H-pyrazole
SMILESc1ccc2c(-c3ccn[nH]3)cccc2c1
InChIInChI=1S/C13H10N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-8-9-14-15-13/h1-9H,(H,14,15)
InChIKeyTVZLXTOULIAGKU-UHFFFAOYSA-N
MW194.24 g/mol
LogP3.23
Rot. Bonds1

About 5-naphthalen-1-yl-1H-pyrazole

5-naphthalen-1-yl-1H-pyrazole (PubChem CID 2737035) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 5-naphthalen-1-yl-1H-pyrazole.

Molecular Properties

Compound Name5-naphthalen-1-yl-1H-pyrazole
PubChem CID2737035
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name5-naphthalen-1-yl-1H-pyrazole
SMILESc1ccc2c(-c3ccn[nH]3)cccc2c1
InChIInChI=1S/C13H10N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-8-9-14-15-13/h1-9H,(H,14,15)
InChIKeyTVZLXTOULIAGKU-UHFFFAOYSA-N
XLogP3.23
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-1H-pyrazole?
The IUPAC name of 5-naphthalen-1-yl-1H-pyrazole (CID 2737035) is 5-naphthalen-1-yl-1H-pyrazole.
What is the SMILES notation for 5-naphthalen-1-yl-1H-pyrazole?
The canonical SMILES for 5-naphthalen-1-yl-1H-pyrazole is c1ccc2c(-c3ccn[nH]3)cccc2c1.
What is the InChIKey of 5-naphthalen-1-yl-1H-pyrazole?
The InChIKey is TVZLXTOULIAGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-8-9-14-15-13/h1-9H,(H,14,15).
What are the key properties of 5-naphthalen-1-yl-1H-pyrazole?
5-naphthalen-1-yl-1H-pyrazole has a molecular weight of 194.24 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-1H-pyrazole is sourced from PubChem (CID 2737035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).