5-ethyl-4-(naphthalen-2-ylmethyl)pyrazol-3-one

C16H14N2O — CID 67884907

IUPAC5-ethyl-4-(naphthalen-2-ylmethyl)pyrazol-3-one
SMILESCCC1=C(Cc2ccc3ccccc3c2)C(=O)N=N1
InChIInChI=1S/C16H14N2O/c1-2-15-14(16(19)18-17-15)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9H,2,10H2,1H3
InChIKeyLFZPKOOJXAIXJX-UHFFFAOYSA-N
MW250.30 g/mol
LogP4.04
Rot. Bonds3

About 5-ethyl-4-(naphthalen-2-ylmethyl)pyrazol-3-one

5-ethyl-4-(naphthalen-2-ylmethyl)pyrazol-3-one (PubChem CID 67884907) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-ethyl-4-(naphthalen-2-ylmethyl)pyrazol-3-one.

Molecular Properties

Compound Name5-ethyl-4-(naphthalen-2-ylmethyl)pyrazol-3-one
PubChem CID67884907
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name5-ethyl-4-(naphthalen-2-ylmethyl)pyrazol-3-one
SMILESCCC1=C(Cc2ccc3ccccc3c2)C(=O)N=N1
InChIInChI=1S/C16H14N2O/c1-2-15-14(16(19)18-17-15)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9H,2,10H2,1H3
InChIKeyLFZPKOOJXAIXJX-UHFFFAOYSA-N
XLogP4.04
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(naphthalen-2-ylmethyl)pyrazol-3-one?
The IUPAC name of 5-ethyl-4-(naphthalen-2-ylmethyl)pyrazol-3-one (CID 67884907) is 5-ethyl-4-(naphthalen-2-ylmethyl)pyrazol-3-one.
What is the SMILES notation for 5-ethyl-4-(naphthalen-2-ylmethyl)pyrazol-3-one?
The canonical SMILES for 5-ethyl-4-(naphthalen-2-ylmethyl)pyrazol-3-one is CCC1=C(Cc2ccc3ccccc3c2)C(=O)N=N1.
What is the InChIKey of 5-ethyl-4-(naphthalen-2-ylmethyl)pyrazol-3-one?
The InChIKey is LFZPKOOJXAIXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-2-15-14(16(19)18-17-15)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9H,2,10H2,1H3.
What are the key properties of 5-ethyl-4-(naphthalen-2-ylmethyl)pyrazol-3-one?
5-ethyl-4-(naphthalen-2-ylmethyl)pyrazol-3-one has a molecular weight of 250.30 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(naphthalen-2-ylmethyl)pyrazol-3-one is sourced from PubChem (CID 67884907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).