4-methyl-5-naphthalen-2-ylpyrazol-3-one

C14H10N2O — CID 54140446

IUPAC4-methyl-5-naphthalen-2-ylpyrazol-3-one
SMILESCC1=C(c2ccc3ccccc3c2)N=NC1=O
InChIInChI=1S/C14H10N2O/c1-9-13(15-16-14(9)17)12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3
InChIKeyOASIDFCQTCKGMS-UHFFFAOYSA-N
MW222.25 g/mol
LogP3.56
Rot. Bonds1

About 4-methyl-5-naphthalen-2-ylpyrazol-3-one

4-methyl-5-naphthalen-2-ylpyrazol-3-one (PubChem CID 54140446) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-methyl-5-naphthalen-2-ylpyrazol-3-one.

Molecular Properties

Compound Name4-methyl-5-naphthalen-2-ylpyrazol-3-one
PubChem CID54140446
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name4-methyl-5-naphthalen-2-ylpyrazol-3-one
SMILESCC1=C(c2ccc3ccccc3c2)N=NC1=O
InChIInChI=1S/C14H10N2O/c1-9-13(15-16-14(9)17)12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3
InChIKeyOASIDFCQTCKGMS-UHFFFAOYSA-N
XLogP3.56
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-naphthalen-2-ylpyrazol-3-one?
The IUPAC name of 4-methyl-5-naphthalen-2-ylpyrazol-3-one (CID 54140446) is 4-methyl-5-naphthalen-2-ylpyrazol-3-one.
What is the SMILES notation for 4-methyl-5-naphthalen-2-ylpyrazol-3-one?
The canonical SMILES for 4-methyl-5-naphthalen-2-ylpyrazol-3-one is CC1=C(c2ccc3ccccc3c2)N=NC1=O.
What is the InChIKey of 4-methyl-5-naphthalen-2-ylpyrazol-3-one?
The InChIKey is OASIDFCQTCKGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c1-9-13(15-16-14(9)17)12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3.
What are the key properties of 4-methyl-5-naphthalen-2-ylpyrazol-3-one?
4-methyl-5-naphthalen-2-ylpyrazol-3-one has a molecular weight of 222.25 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-naphthalen-2-ylpyrazol-3-one is sourced from PubChem (CID 54140446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).