naphthalen-1-yl(pyrazol-1-yl)methanone

C14H10N2O — CID 771201

IUPACnaphthalen-1-yl(pyrazol-1-yl)methanone
SMILESO=C(c1cccc2ccccc12)n1cccn1
InChIInChI=1S/C14H10N2O/c17-14(16-10-4-9-15-16)13-8-3-6-11-5-1-2-7-12(11)13/h1-10H
InChIKeyOMQDSKYQXDQNEK-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.72
Rot. Bonds1

About naphthalen-1-yl(pyrazol-1-yl)methanone

naphthalen-1-yl(pyrazol-1-yl)methanone (PubChem CID 771201) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is naphthalen-1-yl(pyrazol-1-yl)methanone.

Molecular Properties

Compound Namenaphthalen-1-yl(pyrazol-1-yl)methanone
PubChem CID771201
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Namenaphthalen-1-yl(pyrazol-1-yl)methanone
SMILESO=C(c1cccc2ccccc12)n1cccn1
InChIInChI=1S/C14H10N2O/c17-14(16-10-4-9-15-16)13-8-3-6-11-5-1-2-7-12(11)13/h1-10H
InChIKeyOMQDSKYQXDQNEK-UHFFFAOYSA-N
XLogP2.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl(pyrazol-1-yl)methanone?
The IUPAC name of naphthalen-1-yl(pyrazol-1-yl)methanone (CID 771201) is naphthalen-1-yl(pyrazol-1-yl)methanone.
What is the SMILES notation for naphthalen-1-yl(pyrazol-1-yl)methanone?
The canonical SMILES for naphthalen-1-yl(pyrazol-1-yl)methanone is O=C(c1cccc2ccccc12)n1cccn1.
What is the InChIKey of naphthalen-1-yl(pyrazol-1-yl)methanone?
The InChIKey is OMQDSKYQXDQNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c17-14(16-10-4-9-15-16)13-8-3-6-11-5-1-2-7-12(11)13/h1-10H.
What are the key properties of naphthalen-1-yl(pyrazol-1-yl)methanone?
naphthalen-1-yl(pyrazol-1-yl)methanone has a molecular weight of 222.25 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl(pyrazol-1-yl)methanone is sourced from PubChem (CID 771201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).