1-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-2-one

C15H16N2O — CID 117353584

IUPAC1-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(-n2nccc2C2CC2)c1
InChIInChI=1S/C15H16N2O/c1-11(18)9-12-3-2-4-14(10-12)17-15(7-8-16-17)13-5-6-13/h2-4,7-8,10,13H,5-6,9H2,1H3
InChIKeyGTMVLOYAAZDNSG-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.88
Rot. Bonds4

About 1-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-2-one

1-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-2-one (PubChem CID 117353584) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-2-one
PubChem CID117353584
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(-n2nccc2C2CC2)c1
InChIInChI=1S/C15H16N2O/c1-11(18)9-12-3-2-4-14(10-12)17-15(7-8-16-17)13-5-6-13/h2-4,7-8,10,13H,5-6,9H2,1H3
InChIKeyGTMVLOYAAZDNSG-UHFFFAOYSA-N
XLogP2.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2,2-dimethylpropanoic acid
CID 117457932
2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]ethanamine
CID 84691343
2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol
CID 117358013
5-cyclopropyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazole
CID 117422199
ethyl 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-2-hydroxyacetate
CID 117461833
5-cyclopropyl-1-phenylpyrazole
CID 67206706
1-(3-imidazol-1-ylphenyl)propan-2-one
CID 82607597
5-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-1,2-oxazol-3-amine
CID 117419702
[5-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117477778
(2R)-1-[4-[2-(3-chlorophenyl)pyrazol-3-yl]piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 118182694
1-methyl-4-[3-(2-oxopropyl)phenyl]piperazine-2,5-dione
CID 117404685
1-(3-piperazin-1-ylphenyl)propan-2-one
CID 123427717

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-2-one?
The IUPAC name of 1-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-2-one (CID 117353584) is 1-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-2-one.
What is the SMILES notation for 1-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-2-one?
The canonical SMILES for 1-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-2-one is CC(=O)Cc1cccc(-n2nccc2C2CC2)c1.
What is the InChIKey of 1-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-2-one?
The InChIKey is GTMVLOYAAZDNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11(18)9-12-3-2-4-14(10-12)17-15(7-8-16-17)13-5-6-13/h2-4,7-8,10,13H,5-6,9H2,1H3.
What are the key properties of 1-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-2-one?
1-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-2-one has a molecular weight of 240.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-2-one is sourced from PubChem (CID 117353584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).