1-(4-cyclopentyloxypyrazol-1-yl)propan-2-one

C11H16N2O2 — CID 117124912

IUPAC1-(4-cyclopentyloxypyrazol-1-yl)propan-2-one
SMILESCC(=O)Cn1cc(OC2CCCC2)cn1
InChIInChI=1S/C11H16N2O2/c1-9(14)7-13-8-11(6-12-13)15-10-4-2-3-5-10/h6,8,10H,2-5,7H2,1H3
InChIKeyPTHXKXALJLCRID-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.79
Rot. Bonds4

About 1-(4-cyclopentyloxypyrazol-1-yl)propan-2-one

1-(4-cyclopentyloxypyrazol-1-yl)propan-2-one (PubChem CID 117124912) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(4-cyclopentyloxypyrazol-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-cyclopentyloxypyrazol-1-yl)propan-2-one
PubChem CID117124912
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(4-cyclopentyloxypyrazol-1-yl)propan-2-one
SMILESCC(=O)Cn1cc(OC2CCCC2)cn1
InChIInChI=1S/C11H16N2O2/c1-9(14)7-13-8-11(6-12-13)15-10-4-2-3-5-10/h6,8,10H,2-5,7H2,1H3
InChIKeyPTHXKXALJLCRID-UHFFFAOYSA-N
XLogP1.79
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyloxypyrazol-1-yl)propan-2-one?
The IUPAC name of 1-(4-cyclopentyloxypyrazol-1-yl)propan-2-one (CID 117124912) is 1-(4-cyclopentyloxypyrazol-1-yl)propan-2-one.
What is the SMILES notation for 1-(4-cyclopentyloxypyrazol-1-yl)propan-2-one?
The canonical SMILES for 1-(4-cyclopentyloxypyrazol-1-yl)propan-2-one is CC(=O)Cn1cc(OC2CCCC2)cn1.
What is the InChIKey of 1-(4-cyclopentyloxypyrazol-1-yl)propan-2-one?
The InChIKey is PTHXKXALJLCRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9(14)7-13-8-11(6-12-13)15-10-4-2-3-5-10/h6,8,10H,2-5,7H2,1H3.
What are the key properties of 1-(4-cyclopentyloxypyrazol-1-yl)propan-2-one?
1-(4-cyclopentyloxypyrazol-1-yl)propan-2-one has a molecular weight of 208.26 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyloxypyrazol-1-yl)propan-2-one is sourced from PubChem (CID 117124912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).