5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-dihydropyrazol-3-one

C15H15N3O — CID 71601242

IUPAC5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-dihydropyrazol-3-one
SMILESCN(Cc1cc(=O)[nH][nH]1)c1cccc2ccccc12
InChIInChI=1S/C15H15N3O/c1-18(10-12-9-15(19)17-16-12)14-8-4-6-11-5-2-3-7-13(11)14/h2-9H,10H2,1H3,(H2,16,17,19)
InChIKeyXNUMQCWKMNGCHW-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.49
Rot. Bonds3

About 5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-dihydropyrazol-3-one

5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-dihydropyrazol-3-one (PubChem CID 71601242) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-dihydropyrazol-3-one
PubChem CID71601242
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-dihydropyrazol-3-one
SMILESCN(Cc1cc(=O)[nH][nH]1)c1cccc2ccccc12
InChIInChI=1S/C15H15N3O/c1-18(10-12-9-15(19)17-16-12)14-8-4-6-11-5-2-3-7-13(11)14/h2-9H,10H2,1H3,(H2,16,17,19)
InChIKeyXNUMQCWKMNGCHW-UHFFFAOYSA-N
XLogP2.49
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-dihydropyrazol-3-one (CID 71601242) is 5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-dihydropyrazol-3-one is CN(Cc1cc(=O)[nH][nH]1)c1cccc2ccccc12.
What is the InChIKey of 5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-dihydropyrazol-3-one?
The InChIKey is XNUMQCWKMNGCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-18(10-12-9-15(19)17-16-12)14-8-4-6-11-5-2-3-7-13(11)14/h2-9H,10H2,1H3,(H2,16,17,19).
What are the key properties of 5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-dihydropyrazol-3-one?
5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-dihydropyrazol-3-one has a molecular weight of 253.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(naphthalen-1-yl)amino]methyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 71601242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).