4-(1-pentan-3-ylpyrazol-3-yl)-1-phenylbutan-1-one

C18H24N2O — CID 64777574

IUPAC4-(1-pentan-3-ylpyrazol-3-yl)-1-phenylbutan-1-one
SMILESCCC(CC)n1ccc(CCCC(=O)c2ccccc2)n1
InChIInChI=1S/C18H24N2O/c1-3-17(4-2)20-14-13-16(19-20)11-8-12-18(21)15-9-6-5-7-10-15/h5-7,9-10,13-14,17H,3-4,8,11-12H2,1-2H3
InChIKeyPHNIQFGGVRQVLM-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.45
Rot. Bonds8

About 4-(1-pentan-3-ylpyrazol-3-yl)-1-phenylbutan-1-one

4-(1-pentan-3-ylpyrazol-3-yl)-1-phenylbutan-1-one (PubChem CID 64777574) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-(1-pentan-3-ylpyrazol-3-yl)-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-(1-pentan-3-ylpyrazol-3-yl)-1-phenylbutan-1-one
PubChem CID64777574
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name4-(1-pentan-3-ylpyrazol-3-yl)-1-phenylbutan-1-one
SMILESCCC(CC)n1ccc(CCCC(=O)c2ccccc2)n1
InChIInChI=1S/C18H24N2O/c1-3-17(4-2)20-14-13-16(19-20)11-8-12-18(21)15-9-6-5-7-10-15/h5-7,9-10,13-14,17H,3-4,8,11-12H2,1-2H3
InChIKeyPHNIQFGGVRQVLM-UHFFFAOYSA-N
XLogP4.45
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol
CID 64778701
2-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butanoic acid
CID 81008710
4-(1-cyclopentylpyrazol-3-yl)-1-phenylbutan-1-one
CID 64777764
1-(3-iodophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
CID 114976178
1-(3,5-dimethylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
CID 114976128
2-methyl-N-[3-(1-pentan-3-ylpyrazol-3-yl)propyl]propan-1-amine
CID 64778089
4-amino-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-one
CID 116609163
ethane;1-phenylpentan-1-one
CID 143728184
1-(2-chlorophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
CID 64783360
1,15-diphenylpentadecane-1,15-dione
CID 159981687
2-methyl-6-oxo-6-phenylhexanal
CID 57034938
1-phenylheptadecan-1-one
CID 577626

Frequently Asked Questions

What is the IUPAC name of 4-(1-pentan-3-ylpyrazol-3-yl)-1-phenylbutan-1-one?
The IUPAC name of 4-(1-pentan-3-ylpyrazol-3-yl)-1-phenylbutan-1-one (CID 64777574) is 4-(1-pentan-3-ylpyrazol-3-yl)-1-phenylbutan-1-one.
What is the SMILES notation for 4-(1-pentan-3-ylpyrazol-3-yl)-1-phenylbutan-1-one?
The canonical SMILES for 4-(1-pentan-3-ylpyrazol-3-yl)-1-phenylbutan-1-one is CCC(CC)n1ccc(CCCC(=O)c2ccccc2)n1.
What is the InChIKey of 4-(1-pentan-3-ylpyrazol-3-yl)-1-phenylbutan-1-one?
The InChIKey is PHNIQFGGVRQVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-17(4-2)20-14-13-16(19-20)11-8-12-18(21)15-9-6-5-7-10-15/h5-7,9-10,13-14,17H,3-4,8,11-12H2,1-2H3.
What are the key properties of 4-(1-pentan-3-ylpyrazol-3-yl)-1-phenylbutan-1-one?
4-(1-pentan-3-ylpyrazol-3-yl)-1-phenylbutan-1-one has a molecular weight of 284.40 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-pentan-3-ylpyrazol-3-yl)-1-phenylbutan-1-one is sourced from PubChem (CID 64777574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).