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3-(6-methoxynaphthalen-2-yl)-1H-pyrazole

3-(6-methoxynaphthalen-2-yl)-1H-pyrazole

CAS: 258518-56-8

Formula: C14H12N2O

SMILES: COC1=CC2=CC=C(C=C2C=C1)C1=NNC=C1

IUPAC: 3-(6-methoxynaphthalen-2-yl)-1H-pyrazole

InChI: InChI=1S/C14H12N2O/c1-17-13-5-4-10-8-12(3-2-11(10)9-13)14-6-7-15-16-14/h2-9H,1H3,(H,15,16)

Composition: C (74.98%), H (5.39%), N (12.49%), O (7.13%)

Molar Mass: 224.263

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 224.094963014
Formal Charge 0
FSP3 0.07
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey JWJAVRXSBWYMIN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.42
Topological Polar Surface Area 37.91
Polarizability 28.24
Ring Count 3
Rotatable Bond Count 2

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