5-(6-methoxynaphthalen-2-yl)-1H-pyrazole

C14H12N2O — CID 2740829

IUPAC5-(6-methoxynaphthalen-2-yl)-1H-pyrazole
SMILESCOc1ccc2cc(-c3ccn[nH]3)ccc2c1
InChIInChI=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)
InChIKeyJWJAVRXSBWYMIN-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.24
Rot. Bonds2

About 5-(6-methoxynaphthalen-2-yl)-1H-pyrazole

5-(6-methoxynaphthalen-2-yl)-1H-pyrazole (PubChem CID 2740829) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-(6-methoxynaphthalen-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(6-methoxynaphthalen-2-yl)-1H-pyrazole
PubChem CID2740829
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name5-(6-methoxynaphthalen-2-yl)-1H-pyrazole
SMILESCOc1ccc2cc(-c3ccn[nH]3)ccc2c1
InChIInChI=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)
InChIKeyJWJAVRXSBWYMIN-UHFFFAOYSA-N
XLogP3.24
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxynaphthalen-2-yl)-1H-pyrazole?
The IUPAC name of 5-(6-methoxynaphthalen-2-yl)-1H-pyrazole (CID 2740829) is 5-(6-methoxynaphthalen-2-yl)-1H-pyrazole.
What is the SMILES notation for 5-(6-methoxynaphthalen-2-yl)-1H-pyrazole?
The canonical SMILES for 5-(6-methoxynaphthalen-2-yl)-1H-pyrazole is COc1ccc2cc(-c3ccn[nH]3)ccc2c1.
What is the InChIKey of 5-(6-methoxynaphthalen-2-yl)-1H-pyrazole?
The InChIKey is JWJAVRXSBWYMIN-UHFFFAOYSA-N. The full InChI is 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).
What are the key properties of 5-(6-methoxynaphthalen-2-yl)-1H-pyrazole?
5-(6-methoxynaphthalen-2-yl)-1H-pyrazole has a molecular weight of 224.26 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxynaphthalen-2-yl)-1H-pyrazole is sourced from PubChem (CID 2740829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).