(3,5-dimethylpyrazol-1-yl)-naphthalen-2-ylmethanone

C16H14N2O — CID 3332652

IUPAC(3,5-dimethylpyrazol-1-yl)-naphthalen-2-ylmethanone
SMILESCc1cc(C)n(C(=O)c2ccc3ccccc3c2)n1
InChIInChI=1S/C16H14N2O/c1-11-9-12(2)18(17-11)16(19)15-8-7-13-5-3-4-6-14(13)10-15/h3-10H,1-2H3
InChIKeyXRQIAALWJHJSBJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.34
Rot. Bonds1

About (3,5-dimethylpyrazol-1-yl)-naphthalen-2-ylmethanone

(3,5-dimethylpyrazol-1-yl)-naphthalen-2-ylmethanone (PubChem CID 3332652) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-naphthalen-2-ylmethanone
PubChem CID3332652
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name(3,5-dimethylpyrazol-1-yl)-naphthalen-2-ylmethanone
SMILESCc1cc(C)n(C(=O)c2ccc3ccccc3c2)n1
InChIInChI=1S/C16H14N2O/c1-11-9-12(2)18(17-11)16(19)15-8-7-13-5-3-4-6-14(13)10-15/h3-10H,1-2H3
InChIKeyXRQIAALWJHJSBJ-UHFFFAOYSA-N
XLogP3.34
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-naphthalen-2-ylmethanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-naphthalen-2-ylmethanone (CID 3332652) is (3,5-dimethylpyrazol-1-yl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-naphthalen-2-ylmethanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-naphthalen-2-ylmethanone is Cc1cc(C)n(C(=O)c2ccc3ccccc3c2)n1.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-naphthalen-2-ylmethanone?
The InChIKey is XRQIAALWJHJSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-9-12(2)18(17-11)16(19)15-8-7-13-5-3-4-6-14(13)10-15/h3-10H,1-2H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-naphthalen-2-ylmethanone?
(3,5-dimethylpyrazol-1-yl)-naphthalen-2-ylmethanone has a molecular weight of 250.30 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 3332652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).