5-(4-phenylpyrazol-1-yl)pentan-2-one

C14H16N2O — CID 55113154

IUPAC5-(4-phenylpyrazol-1-yl)pentan-2-one
SMILESCC(=O)CCCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C14H16N2O/c1-12(17)6-5-9-16-11-14(10-15-16)13-7-3-2-4-8-13/h2-4,7-8,10-11H,5-6,9H2,1H3
InChIKeyQWZHYKUFPBSOSE-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.92
Rot. Bonds5

About 5-(4-phenylpyrazol-1-yl)pentan-2-one

5-(4-phenylpyrazol-1-yl)pentan-2-one (PubChem CID 55113154) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-(4-phenylpyrazol-1-yl)pentan-2-one.

Molecular Properties

Compound Name5-(4-phenylpyrazol-1-yl)pentan-2-one
PubChem CID55113154
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name5-(4-phenylpyrazol-1-yl)pentan-2-one
SMILESCC(=O)CCCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C14H16N2O/c1-12(17)6-5-9-16-11-14(10-15-16)13-7-3-2-4-8-13/h2-4,7-8,10-11H,5-6,9H2,1H3
InChIKeyQWZHYKUFPBSOSE-UHFFFAOYSA-N
XLogP2.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylpyrazol-1-yl)pentan-2-one?
The IUPAC name of 5-(4-phenylpyrazol-1-yl)pentan-2-one (CID 55113154) is 5-(4-phenylpyrazol-1-yl)pentan-2-one.
What is the SMILES notation for 5-(4-phenylpyrazol-1-yl)pentan-2-one?
The canonical SMILES for 5-(4-phenylpyrazol-1-yl)pentan-2-one is CC(=O)CCCn1cc(-c2ccccc2)cn1.
What is the InChIKey of 5-(4-phenylpyrazol-1-yl)pentan-2-one?
The InChIKey is QWZHYKUFPBSOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-12(17)6-5-9-16-11-14(10-15-16)13-7-3-2-4-8-13/h2-4,7-8,10-11H,5-6,9H2,1H3.
What are the key properties of 5-(4-phenylpyrazol-1-yl)pentan-2-one?
5-(4-phenylpyrazol-1-yl)pentan-2-one has a molecular weight of 228.30 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylpyrazol-1-yl)pentan-2-one is sourced from PubChem (CID 55113154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).