3-(1-cyclopentylpyrazol-3-yl)-1-hydroxy-1-phenylpropan-2-one

C17H20N2O2 — CID 103458105

IUPAC3-(1-cyclopentylpyrazol-3-yl)-1-hydroxy-1-phenylpropan-2-one
SMILESO=C(Cc1ccn(C2CCCC2)n1)C(O)c1ccccc1
InChIInChI=1S/C17H20N2O2/c20-16(17(21)13-6-2-1-3-7-13)12-14-10-11-19(18-14)15-8-4-5-9-15/h1-3,6-7,10-11,15,17,21H,4-5,8-9,12H2
InChIKeyVSMHXUVXHQTGLA-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.84
Rot. Bonds5

About 3-(1-cyclopentylpyrazol-3-yl)-1-hydroxy-1-phenylpropan-2-one

3-(1-cyclopentylpyrazol-3-yl)-1-hydroxy-1-phenylpropan-2-one (PubChem CID 103458105) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(1-cyclopentylpyrazol-3-yl)-1-hydroxy-1-phenylpropan-2-one.

Molecular Properties

Compound Name3-(1-cyclopentylpyrazol-3-yl)-1-hydroxy-1-phenylpropan-2-one
PubChem CID103458105
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-(1-cyclopentylpyrazol-3-yl)-1-hydroxy-1-phenylpropan-2-one
SMILESO=C(Cc1ccn(C2CCCC2)n1)C(O)c1ccccc1
InChIInChI=1S/C17H20N2O2/c20-16(17(21)13-6-2-1-3-7-13)12-14-10-11-19(18-14)15-8-4-5-9-15/h1-3,6-7,10-11,15,17,21H,4-5,8-9,12H2
InChIKeyVSMHXUVXHQTGLA-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-hydroxy-3-(1-methylpyrazol-3-yl)-1-phenylpropan-2-one
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3-amino-1-(1-cyclohexylpyrazol-3-yl)hex-5-en-2-one
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CID 64784110
1-(1-cyclohexylpyrazol-3-yl)-3-phenylpropan-2-ol
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CID 64777224

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentylpyrazol-3-yl)-1-hydroxy-1-phenylpropan-2-one?
The IUPAC name of 3-(1-cyclopentylpyrazol-3-yl)-1-hydroxy-1-phenylpropan-2-one (CID 103458105) is 3-(1-cyclopentylpyrazol-3-yl)-1-hydroxy-1-phenylpropan-2-one.
What is the SMILES notation for 3-(1-cyclopentylpyrazol-3-yl)-1-hydroxy-1-phenylpropan-2-one?
The canonical SMILES for 3-(1-cyclopentylpyrazol-3-yl)-1-hydroxy-1-phenylpropan-2-one is O=C(Cc1ccn(C2CCCC2)n1)C(O)c1ccccc1.
What is the InChIKey of 3-(1-cyclopentylpyrazol-3-yl)-1-hydroxy-1-phenylpropan-2-one?
The InChIKey is VSMHXUVXHQTGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-16(17(21)13-6-2-1-3-7-13)12-14-10-11-19(18-14)15-8-4-5-9-15/h1-3,6-7,10-11,15,17,21H,4-5,8-9,12H2.
What are the key properties of 3-(1-cyclopentylpyrazol-3-yl)-1-hydroxy-1-phenylpropan-2-one?
3-(1-cyclopentylpyrazol-3-yl)-1-hydroxy-1-phenylpropan-2-one has a molecular weight of 284.36 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentylpyrazol-3-yl)-1-hydroxy-1-phenylpropan-2-one is sourced from PubChem (CID 103458105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).