1-(3,5-dimethylpyrazol-1-yl)-3-phenylpentan-1-one

C16H20N2O — CID 86062361

IUPAC1-(3,5-dimethylpyrazol-1-yl)-3-phenylpentan-1-one
SMILESCCC(CC(=O)n1nc(C)cc1C)c1ccccc1
InChIInChI=1S/C16H20N2O/c1-4-14(15-8-6-5-7-9-15)11-16(19)18-13(3)10-12(2)17-18/h5-10,14H,4,11H2,1-3H3
InChIKeyWUBROCAKFYWOCI-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.72
Rot. Bonds4

About 1-(3,5-dimethylpyrazol-1-yl)-3-phenylpentan-1-one

1-(3,5-dimethylpyrazol-1-yl)-3-phenylpentan-1-one (PubChem CID 86062361) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-3-phenylpentan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-3-phenylpentan-1-one
PubChem CID86062361
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-3-phenylpentan-1-one
SMILESCCC(CC(=O)n1nc(C)cc1C)c1ccccc1
InChIInChI=1S/C16H20N2O/c1-4-14(15-8-6-5-7-9-15)11-16(19)18-13(3)10-12(2)17-18/h5-10,14H,4,11H2,1-3H3
InChIKeyWUBROCAKFYWOCI-UHFFFAOYSA-N
XLogP3.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-phenylpentanoic acid
CID 142147200
2-bromo-1-(3,5-dimethylpyrazol-1-yl)ethanone
CID 12791875
(3S)-3-phenylpentanoyl chloride
CID 42074098
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-phenylpropanamide
CID 661785
2-(2-chloroanilino)-1-(3,5-dimethylpyrazol-1-yl)ethanone
CID 703693
(3R)-1,3-diphenylpentan-1-one
CID 11042799
2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,5-dimethylpyrazol-1-yl)ethanone
CID 3525067
1-(2,5-dimethylpyrazol-3-yl)-3-(2-phenylbutyl)urea
CID 51080232
N-[(1R,2S)-2-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylbutyl]-4-methylbenzenesulfonamide
CID 10502502
1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyphenoxy)ethanone
CID 675703
2,2-dimethyl-5-phenylheptan-3-one
CID 15091945
1-(3,5-dimethylpyrazol-1-yl)nonan-1-one
CID 3287387

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-phenylpentan-1-one?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-3-phenylpentan-1-one (CID 86062361) is 1-(3,5-dimethylpyrazol-1-yl)-3-phenylpentan-1-one.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-3-phenylpentan-1-one?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-3-phenylpentan-1-one is CCC(CC(=O)n1nc(C)cc1C)c1ccccc1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-3-phenylpentan-1-one?
The InChIKey is WUBROCAKFYWOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-14(15-8-6-5-7-9-15)11-16(19)18-13(3)10-12(2)17-18/h5-10,14H,4,11H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-3-phenylpentan-1-one?
1-(3,5-dimethylpyrazol-1-yl)-3-phenylpentan-1-one has a molecular weight of 256.35 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-3-phenylpentan-1-one is sourced from PubChem (CID 86062361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).