1-(1-cyclopentylpyrazol-4-yl)-2-fluoroethanone

C10H13FN2O — CID 122192590

IUPAC1-(1-cyclopentylpyrazol-4-yl)-2-fluoroethanone
SMILESO=C(CF)c1cnn(C2CCCC2)c1
InChIInChI=1S/C10H13FN2O/c11-5-10(14)8-6-12-13(7-8)9-3-1-2-4-9/h6-7,9H,1-5H2
InChIKeyIUCANLAVDXMGCM-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.15
Rot. Bonds3

About 1-(1-cyclopentylpyrazol-4-yl)-2-fluoroethanone

1-(1-cyclopentylpyrazol-4-yl)-2-fluoroethanone (PubChem CID 122192590) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrazol-4-yl)-2-fluoroethanone.

Molecular Properties

Compound Name1-(1-cyclopentylpyrazol-4-yl)-2-fluoroethanone
PubChem CID122192590
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name1-(1-cyclopentylpyrazol-4-yl)-2-fluoroethanone
SMILESO=C(CF)c1cnn(C2CCCC2)c1
InChIInChI=1S/C10H13FN2O/c11-5-10(14)8-6-12-13(7-8)9-3-1-2-4-9/h6-7,9H,1-5H2
InChIKeyIUCANLAVDXMGCM-UHFFFAOYSA-N
XLogP2.15
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrazol-4-yl)-2-fluoroethanone?
The IUPAC name of 1-(1-cyclopentylpyrazol-4-yl)-2-fluoroethanone (CID 122192590) is 1-(1-cyclopentylpyrazol-4-yl)-2-fluoroethanone.
What is the SMILES notation for 1-(1-cyclopentylpyrazol-4-yl)-2-fluoroethanone?
The canonical SMILES for 1-(1-cyclopentylpyrazol-4-yl)-2-fluoroethanone is O=C(CF)c1cnn(C2CCCC2)c1.
What is the InChIKey of 1-(1-cyclopentylpyrazol-4-yl)-2-fluoroethanone?
The InChIKey is IUCANLAVDXMGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c11-5-10(14)8-6-12-13(7-8)9-3-1-2-4-9/h6-7,9H,1-5H2.
What are the key properties of 1-(1-cyclopentylpyrazol-4-yl)-2-fluoroethanone?
1-(1-cyclopentylpyrazol-4-yl)-2-fluoroethanone has a molecular weight of 196.22 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrazol-4-yl)-2-fluoroethanone is sourced from PubChem (CID 122192590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).