2-naphthalen-1-yl-3,4-dihydropyrazole

C13H12N2 — CID 22120431

IUPAC2-naphthalen-1-yl-3,4-dihydropyrazole
SMILESC1=NN(c2cccc3ccccc23)CC1
InChIInChI=1S/C13H12N2/c1-2-7-12-11(5-1)6-3-8-13(12)15-10-4-9-14-15/h1-3,5-9H,4,10H2
InChIKeyGWJGMUFZWAXLAS-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.04
Rot. Bonds1

About 2-naphthalen-1-yl-3,4-dihydropyrazole

2-naphthalen-1-yl-3,4-dihydropyrazole (PubChem CID 22120431) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-naphthalen-1-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-naphthalen-1-yl-3,4-dihydropyrazole
PubChem CID22120431
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name2-naphthalen-1-yl-3,4-dihydropyrazole
SMILESC1=NN(c2cccc3ccccc23)CC1
InChIInChI=1S/C13H12N2/c1-2-7-12-11(5-1)6-3-8-13(12)15-10-4-9-14-15/h1-3,5-9H,4,10H2
InChIKeyGWJGMUFZWAXLAS-UHFFFAOYSA-N
XLogP3.04
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-3,4-dihydropyrazole?
The IUPAC name of 2-naphthalen-1-yl-3,4-dihydropyrazole (CID 22120431) is 2-naphthalen-1-yl-3,4-dihydropyrazole.
What is the SMILES notation for 2-naphthalen-1-yl-3,4-dihydropyrazole?
The canonical SMILES for 2-naphthalen-1-yl-3,4-dihydropyrazole is C1=NN(c2cccc3ccccc23)CC1.
What is the InChIKey of 2-naphthalen-1-yl-3,4-dihydropyrazole?
The InChIKey is GWJGMUFZWAXLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-2-7-12-11(5-1)6-3-8-13(12)15-10-4-9-14-15/h1-3,5-9H,4,10H2.
What are the key properties of 2-naphthalen-1-yl-3,4-dihydropyrazole?
2-naphthalen-1-yl-3,4-dihydropyrazole has a molecular weight of 196.25 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-3,4-dihydropyrazole is sourced from PubChem (CID 22120431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).