2-(4-methyl-3-phenylpyrazol-1-yl)-3,4-dihydro-2H-naphthalen-1-one

C20H18N2O — CID 166437666

IUPAC2-(4-methyl-3-phenylpyrazol-1-yl)-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1cn(C2CCc3ccccc3C2=O)nc1-c1ccccc1
InChIInChI=1S/C20H18N2O/c1-14-13-22(21-19(14)16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)20(18)23/h2-10,13,18H,11-12H2,1H3
InChIKeyGGFNFGGJYZCNPR-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.23
Rot. Bonds2

About 2-(4-methyl-3-phenylpyrazol-1-yl)-3,4-dihydro-2H-naphthalen-1-one

2-(4-methyl-3-phenylpyrazol-1-yl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 166437666) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(4-methyl-3-phenylpyrazol-1-yl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-(4-methyl-3-phenylpyrazol-1-yl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID166437666
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name2-(4-methyl-3-phenylpyrazol-1-yl)-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1cn(C2CCc3ccccc3C2=O)nc1-c1ccccc1
InChIInChI=1S/C20H18N2O/c1-14-13-22(21-19(14)16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)20(18)23/h2-10,13,18H,11-12H2,1H3
InChIKeyGGFNFGGJYZCNPR-UHFFFAOYSA-N
XLogP4.23
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-phenylpyrazol-1-yl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-(4-methyl-3-phenylpyrazol-1-yl)-3,4-dihydro-2H-naphthalen-1-one (CID 166437666) is 2-(4-methyl-3-phenylpyrazol-1-yl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-(4-methyl-3-phenylpyrazol-1-yl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-(4-methyl-3-phenylpyrazol-1-yl)-3,4-dihydro-2H-naphthalen-1-one is Cc1cn(C2CCc3ccccc3C2=O)nc1-c1ccccc1.
What is the InChIKey of 2-(4-methyl-3-phenylpyrazol-1-yl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is GGFNFGGJYZCNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-14-13-22(21-19(14)16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)20(18)23/h2-10,13,18H,11-12H2,1H3.
What are the key properties of 2-(4-methyl-3-phenylpyrazol-1-yl)-3,4-dihydro-2H-naphthalen-1-one?
2-(4-methyl-3-phenylpyrazol-1-yl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 302.38 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-phenylpyrazol-1-yl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 166437666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).