1-(1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone

C10H13FN2O — CID 105449892

IUPAC1-(1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone
SMILESCCn1nc(C(C)=O)c2c1CCC2F
InChIInChI=1S/C10H13FN2O/c1-3-13-8-5-4-7(11)9(8)10(12-13)6(2)14/h7H,3-5H2,1-2H3
InChIKeyPUZKCHRWCCBGCZ-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.06
Rot. Bonds2

About 1-(1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone

1-(1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone (PubChem CID 105449892) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 1-(1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone
PubChem CID105449892
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name1-(1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone
SMILESCCn1nc(C(C)=O)c2c1CCC2F
InChIInChI=1S/C10H13FN2O/c1-3-13-8-5-4-7(11)9(8)10(12-13)6(2)14/h7H,3-5H2,1-2H3
InChIKeyPUZKCHRWCCBGCZ-UHFFFAOYSA-N
XLogP2.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone?
The IUPAC name of 1-(1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone (CID 105449892) is 1-(1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone?
The canonical SMILES for 1-(1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone is CCn1nc(C(C)=O)c2c1CCC2F.
What is the InChIKey of 1-(1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone?
The InChIKey is PUZKCHRWCCBGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-3-13-8-5-4-7(11)9(8)10(12-13)6(2)14/h7H,3-5H2,1-2H3.
What are the key properties of 1-(1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone?
1-(1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone has a molecular weight of 196.22 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-fluoro-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanone is sourced from PubChem (CID 105449892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).