4-(naphthalen-2-ylmethyl)-5-phenyl-1,2-dihydropyrazol-3-one

C20H16N2O — CID 11779562

IUPAC4-(naphthalen-2-ylmethyl)-5-phenyl-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]c(-c2ccccc2)c1Cc1ccc2ccccc2c1
InChIInChI=1S/C20H16N2O/c23-20-18(19(21-22-20)16-7-2-1-3-8-16)13-14-10-11-15-6-4-5-9-17(15)12-14/h1-12H,13H2,(H2,21,22,23)
InChIKeySKKYNGVACRUPPH-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.11
Rot. Bonds3

About 4-(naphthalen-2-ylmethyl)-5-phenyl-1,2-dihydropyrazol-3-one

4-(naphthalen-2-ylmethyl)-5-phenyl-1,2-dihydropyrazol-3-one (PubChem CID 11779562) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-(naphthalen-2-ylmethyl)-5-phenyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-(naphthalen-2-ylmethyl)-5-phenyl-1,2-dihydropyrazol-3-one
PubChem CID11779562
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name4-(naphthalen-2-ylmethyl)-5-phenyl-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]c(-c2ccccc2)c1Cc1ccc2ccccc2c1
InChIInChI=1S/C20H16N2O/c23-20-18(19(21-22-20)16-7-2-1-3-8-16)13-14-10-11-15-6-4-5-9-17(15)12-14/h1-12H,13H2,(H2,21,22,23)
InChIKeySKKYNGVACRUPPH-UHFFFAOYSA-N
XLogP4.11
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-2-ylmethyl)-5-phenyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-(naphthalen-2-ylmethyl)-5-phenyl-1,2-dihydropyrazol-3-one (CID 11779562) is 4-(naphthalen-2-ylmethyl)-5-phenyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-(naphthalen-2-ylmethyl)-5-phenyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-(naphthalen-2-ylmethyl)-5-phenyl-1,2-dihydropyrazol-3-one is O=c1[nH][nH]c(-c2ccccc2)c1Cc1ccc2ccccc2c1.
What is the InChIKey of 4-(naphthalen-2-ylmethyl)-5-phenyl-1,2-dihydropyrazol-3-one?
The InChIKey is SKKYNGVACRUPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c23-20-18(19(21-22-20)16-7-2-1-3-8-16)13-14-10-11-15-6-4-5-9-17(15)12-14/h1-12H,13H2,(H2,21,22,23).
What are the key properties of 4-(naphthalen-2-ylmethyl)-5-phenyl-1,2-dihydropyrazol-3-one?
4-(naphthalen-2-ylmethyl)-5-phenyl-1,2-dihydropyrazol-3-one has a molecular weight of 300.36 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-2-ylmethyl)-5-phenyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 11779562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).