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

C15H14N2O — CID 10331768

IUPAC5-methyl-4-(naphthalen-1-ylmethyl)-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1Cc1cccc2ccccc12
InChIInChI=1S/C15H14N2O/c1-10-14(15(18)17-16-10)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8H,9H2,1H3,(H2,16,17,18)
InChIKeyIQDLCGSNFCGFCV-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.76
Rot. Bonds2

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

5-methyl-4-(naphthalen-1-ylmethyl)-1,2-dihydropyrazol-3-one (PubChem CID 10331768) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-methyl-4-(naphthalen-1-ylmethyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-methyl-4-(naphthalen-1-ylmethyl)-1,2-dihydropyrazol-3-one
PubChem CID10331768
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name5-methyl-4-(naphthalen-1-ylmethyl)-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1Cc1cccc2ccccc12
InChIInChI=1S/C15H14N2O/c1-10-14(15(18)17-16-10)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8H,9H2,1H3,(H2,16,17,18)
InChIKeyIQDLCGSNFCGFCV-UHFFFAOYSA-N
XLogP2.76
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-Naphthohydrazide
CID 72689
3-(1-Naphthyl)-1H-pyrazol-5-ol
CID 610864
2-Naphthohydrazide
CID 123485
1-Naphthaleneacethydrazide
CID 253230
2-(Naphthalen-2-yl)acetohydrazide
CID 256827
3-(Phenanthren-3-yl)propanehydrazide
CID 219939
Methyl 2-(1-naphthylacetyl)hydrazinecarboxylate
CID 730253
4,5-Diphenyl-1,2-dihydropyrazol-3-one
CID 256016
5-Naphthalen-2-yl-2H-pyrazol-3-ol
CID 610865
4-Benzyl-1,2-dihydro-5-methyl-3H-pyrazol-3-one
CID 6922806
6-(4-Fluorophenyl)-4-phenyl-1,2,4,5-tetrahydroindazol-3-one
CID 71570799
4-(Naphthalen-2-ylmethyl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-one
CID 9882510

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(naphthalen-1-ylmethyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-methyl-4-(naphthalen-1-ylmethyl)-1,2-dihydropyrazol-3-one (CID 10331768) is 5-methyl-4-(naphthalen-1-ylmethyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-methyl-4-(naphthalen-1-ylmethyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-methyl-4-(naphthalen-1-ylmethyl)-1,2-dihydropyrazol-3-one is Cc1[nH][nH]c(=O)c1Cc1cccc2ccccc12.
What is the InChIKey of 5-methyl-4-(naphthalen-1-ylmethyl)-1,2-dihydropyrazol-3-one?
The InChIKey is IQDLCGSNFCGFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-10-14(15(18)17-16-10)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8H,9H2,1H3,(H2,16,17,18).
What are the key properties of 5-methyl-4-(naphthalen-1-ylmethyl)-1,2-dihydropyrazol-3-one?
5-methyl-4-(naphthalen-1-ylmethyl)-1,2-dihydropyrazol-3-one has a molecular weight of 238.29 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(naphthalen-1-ylmethyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 10331768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).