4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-naphthalen-2-ylbenzamide

C21H19N3O — CID 78877817

IUPAC4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-naphthalen-2-ylbenzamide
SMILESCC1=NN(c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)CC1
InChIInChI=1S/C21H19N3O/c1-15-12-13-24(23-15)20-10-7-17(8-11-20)21(25)22-19-9-6-16-4-2-3-5-18(16)14-19/h2-11,14H,12-13H2,1H3,(H,22,25)
InChIKeyYFXHKTYSDXJTRK-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.68
Rot. Bonds3

About 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-naphthalen-2-ylbenzamide

4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-naphthalen-2-ylbenzamide (PubChem CID 78877817) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-naphthalen-2-ylbenzamide.

Molecular Properties

Compound Name4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-naphthalen-2-ylbenzamide
PubChem CID78877817
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-naphthalen-2-ylbenzamide
SMILESCC1=NN(c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)CC1
InChIInChI=1S/C21H19N3O/c1-15-12-13-24(23-15)20-10-7-17(8-11-20)21(25)22-19-9-6-16-4-2-3-5-18(16)14-19/h2-11,14H,12-13H2,1H3,(H,22,25)
InChIKeyYFXHKTYSDXJTRK-UHFFFAOYSA-N
XLogP4.68
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 46487660
4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide
CID 2353958
N-(1H-indol-2-ylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 56800368
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(5-oxo-1,4-dihydroimidazol-2-yl)benzamide
CID 51089713
N-naphthalen-2-yl-4-phenylbenzamide
CID 1228216
4-ethyl-N-naphthalen-2-ylbenzamide
CID 5108081
4-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylbenzamide
CID 170421564
N-naphthalen-2-yl-4-propan-2-yloxybenzamide
CID 823400
N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2315784
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(2-methylsulfanylethyl)benzamide
CID 167958148
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 154836602

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-naphthalen-2-ylbenzamide?
The IUPAC name of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-naphthalen-2-ylbenzamide (CID 78877817) is 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-naphthalen-2-ylbenzamide.
What is the SMILES notation for 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-naphthalen-2-ylbenzamide?
The canonical SMILES for 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-naphthalen-2-ylbenzamide is CC1=NN(c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)CC1.
What is the InChIKey of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-naphthalen-2-ylbenzamide?
The InChIKey is YFXHKTYSDXJTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-15-12-13-24(23-15)20-10-7-17(8-11-20)21(25)22-19-9-6-16-4-2-3-5-18(16)14-19/h2-11,14H,12-13H2,1H3,(H,22,25).
What are the key properties of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-naphthalen-2-ylbenzamide?
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-naphthalen-2-ylbenzamide has a molecular weight of 329.40 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-naphthalen-2-ylbenzamide is sourced from PubChem (CID 78877817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).