3-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)pentan-1-one

C18H24N2O — CID 114972283

IUPAC3-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)pentan-1-one
SMILESCCCn1nccc1C(=O)C(c1ccccc1)C(C)CC
InChIInChI=1S/C18H24N2O/c1-4-13-20-16(11-12-19-20)18(21)17(14(3)5-2)15-9-7-6-8-10-15/h6-12,14,17H,4-5,13H2,1-3H3
InChIKeyIKSWTNCUNBPCPY-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.31
Rot. Bonds7

About 3-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)pentan-1-one

3-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)pentan-1-one (PubChem CID 114972283) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)pentan-1-one.

Molecular Properties

Compound Name3-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)pentan-1-one
PubChem CID114972283
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)pentan-1-one
SMILESCCCn1nccc1C(=O)C(c1ccccc1)C(C)CC
InChIInChI=1S/C18H24N2O/c1-4-13-20-16(11-12-19-20)18(21)17(14(3)5-2)15-9-7-6-8-10-15/h6-12,14,17H,4-5,13H2,1-3H3
InChIKeyIKSWTNCUNBPCPY-UHFFFAOYSA-N
XLogP4.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethylbenzoyl)-1-(4-fluorobenzoyl)-1H-pyrazole
CID 680939
(1,3-dimethyl-1H-pyrazol-4-yl)(phenyl)methanone
CID 673348
1-Phenyl-2-(1H-pyrazol-1-yl)ethanone
CID 2766375
(4-Chloro-phenyl)-(2-methyl-2H-pyrazol-3-yl)-methanone
CID 603786
3-(1,3-dimethyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one
CID 5794107
3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one
CID 6018480
(E)-3-(1,5-dimethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 6156913
1-(4-Fluorophenyl)-2-[4-(1-methyl-1H-pyrazole-3-carbonyl)-piperazin-1-yl]ethanone
CID 24811854
2-Phenyl-2-(5-phenyl-1-pyrazolyl)acetophenone
CID 319155
4-benzoyl-1-methyl-1H-pyrazole
CID 13334060
3-benzoyl-1-phenyl-1H-pyrazole-4-carbonitrile
CID 851569
1-[4-(4-methylbenzoyl)-1-phenyl-1H-pyrazol-3-yl]ethanone
CID 1214550

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)pentan-1-one?
The IUPAC name of 3-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)pentan-1-one (CID 114972283) is 3-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)pentan-1-one.
What is the SMILES notation for 3-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)pentan-1-one?
The canonical SMILES for 3-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)pentan-1-one is CCCn1nccc1C(=O)C(c1ccccc1)C(C)CC.
What is the InChIKey of 3-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)pentan-1-one?
The InChIKey is IKSWTNCUNBPCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-13-20-16(11-12-19-20)18(21)17(14(3)5-2)15-9-7-6-8-10-15/h6-12,14,17H,4-5,13H2,1-3H3.
What are the key properties of 3-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)pentan-1-one?
3-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)pentan-1-one has a molecular weight of 284.40 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)pentan-1-one is sourced from PubChem (CID 114972283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).