1-(5-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazol-2-yl)ethanone

C21H18N2O — CID 53317051

IUPAC1-(5-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCC(=O)N1N=C(c2cccc3ccccc23)CC1c1ccccc1
InChIInChI=1S/C21H18N2O/c1-15(24)23-21(17-9-3-2-4-10-17)14-20(22-23)19-13-7-11-16-8-5-6-12-18(16)19/h2-13,21H,14H2,1H3
InChIKeyMSRBUUDIIZXZCB-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.54
Rot. Bonds2

About 1-(5-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazol-2-yl)ethanone

1-(5-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazol-2-yl)ethanone (PubChem CID 53317051) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(5-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
PubChem CID53317051
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name1-(5-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCC(=O)N1N=C(c2cccc3ccccc23)CC1c1ccccc1
InChIInChI=1S/C21H18N2O/c1-15(24)23-21(17-9-3-2-4-10-17)14-20(22-23)19-13-7-11-16-8-5-6-12-18(16)19/h2-13,21H,14H2,1H3
InChIKeyMSRBUUDIIZXZCB-UHFFFAOYSA-N
XLogP4.54
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-naphthalen-1-yl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 53317054
1-[5-(2,3-dichlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 91182866
1-[(3S)-5-(2-hydroxyphenyl)-3-pyridin-4-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 137122914
1-[(3S)-5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 901843
1-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 14741508
3-(4-chlorophenyl)-5-naphthalen-1-yl-3,4-dihydropyrazole-2-carbothioamide
CID 66488142
2-ethyl-1-[5-(2-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]butan-1-one
CID 135895421
[2-[3-phenyl-2-(3-phenylprop-2-enoyl)-3,4-dihydropyrazol-5-yl]naphthalen-1-yl] acetate
CID 5009483
[2-[(3R)-2-acetyl-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]naphthalen-1-yl] acetate
CID 1315742
(3aR,6aR)-3-[2-[(3R)-5-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenyl-3a,6a-dihydropyrrolo[3,4-d]triazole-4,6-dione
CID 27646474
1-[5-(3,4-dichlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 5083839
[2-[(3S)-2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] benzoate
CID 7530281

Frequently Asked Questions

What is the IUPAC name of 1-(5-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The IUPAC name of 1-(5-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazol-2-yl)ethanone (CID 53317051) is 1-(5-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazol-2-yl)ethanone.
What is the SMILES notation for 1-(5-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The canonical SMILES for 1-(5-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazol-2-yl)ethanone is CC(=O)N1N=C(c2cccc3ccccc23)CC1c1ccccc1.
What is the InChIKey of 1-(5-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The InChIKey is MSRBUUDIIZXZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-15(24)23-21(17-9-3-2-4-10-17)14-20(22-23)19-13-7-11-16-8-5-6-12-18(16)19/h2-13,21H,14H2,1H3.
What are the key properties of 1-(5-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
1-(5-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazol-2-yl)ethanone has a molecular weight of 314.39 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazol-2-yl)ethanone is sourced from PubChem (CID 53317051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).