3H-indazol-3-yl(naphthalen-1-yl)methanone

C18H12N2O — CID 170857545

IUPAC3H-indazol-3-yl(naphthalen-1-yl)methanone
SMILESO=C(c1cccc2ccccc12)C1N=Nc2ccccc21
InChIInChI=1S/C18H12N2O/c21-18(17-15-9-3-4-11-16(15)19-20-17)14-10-5-7-12-6-1-2-8-13(12)14/h1-11,17H
InChIKeySSHYYLXMQIQMOM-UHFFFAOYSA-N
MW272.31 g/mol
LogP4.86
Rot. Bonds2

About 3H-indazol-3-yl(naphthalen-1-yl)methanone

3H-indazol-3-yl(naphthalen-1-yl)methanone (PubChem CID 170857545) has the molecular formula C18H12N2O and a molecular weight of 272.31 g/mol. Its IUPAC name is 3H-indazol-3-yl(naphthalen-1-yl)methanone.

Molecular Properties

Compound Name3H-indazol-3-yl(naphthalen-1-yl)methanone
PubChem CID170857545
Molecular FormulaC18H12N2O
Molecular Weight272.31 g/mol
Exact Mass272.09
IUPAC Name3H-indazol-3-yl(naphthalen-1-yl)methanone
SMILESO=C(c1cccc2ccccc12)C1N=Nc2ccccc21
InChIInChI=1S/C18H12N2O/c21-18(17-15-9-3-4-11-16(15)19-20-17)14-10-5-7-12-6-1-2-8-13(12)14/h1-11,17H
InChIKeySSHYYLXMQIQMOM-UHFFFAOYSA-N
XLogP4.86
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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sodium naphthalene-1-carbothioate
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1,3-dinaphthalen-1-ylpropane-1,2,3-trione
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tris(naphthalene-1-carboxylic acid);phosphane
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naphthalene-1-carbonyl iodide
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CID 129133768
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naphthalen-1-yl-(4-propan-2-ylcyclohexyl)methanone
CID 65425044
1,4-diazabicyclo[2.2.2]octan-2-yl(naphthalen-1-yl)methanone
CID 79960184
5-naphthalen-1-yl-5H-tetrazole
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[(3S)-1-cyclobutylpiperidin-3-yl]-naphthalen-1-ylmethanone
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Frequently Asked Questions

What is the IUPAC name of 3H-indazol-3-yl(naphthalen-1-yl)methanone?
The IUPAC name of 3H-indazol-3-yl(naphthalen-1-yl)methanone (CID 170857545) is 3H-indazol-3-yl(naphthalen-1-yl)methanone.
What is the SMILES notation for 3H-indazol-3-yl(naphthalen-1-yl)methanone?
The canonical SMILES for 3H-indazol-3-yl(naphthalen-1-yl)methanone is O=C(c1cccc2ccccc12)C1N=Nc2ccccc21.
What is the InChIKey of 3H-indazol-3-yl(naphthalen-1-yl)methanone?
The InChIKey is SSHYYLXMQIQMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O/c21-18(17-15-9-3-4-11-16(15)19-20-17)14-10-5-7-12-6-1-2-8-13(12)14/h1-11,17H.
What are the key properties of 3H-indazol-3-yl(naphthalen-1-yl)methanone?
3H-indazol-3-yl(naphthalen-1-yl)methanone has a molecular weight of 272.31 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-indazol-3-yl(naphthalen-1-yl)methanone is sourced from PubChem (CID 170857545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).