N-(6,6-difluoro-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-yl)acetamide;ethane

C14H27F2N3O — CID 144693622

IUPACN-(6,6-difluoro-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-yl)acetamide;ethane
SMILESCC.CC.CC.CC(=O)Nc1n[nH]c2c1CCC2(F)F
InChIInChI=1S/C8H9F2N3O.3C2H6/c1-4(14)11-7-5-2-3-8(9,10)6(5)12-13-7;3*1-2/h2-3H2,1H3,(H2,11,12,13,14);3*1-2H3
InChIKeyQTIHRBDSIQDRJV-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.48
Rot. Bonds1

About N-(6,6-difluoro-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-yl)acetamide;ethane

N-(6,6-difluoro-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-yl)acetamide;ethane (PubChem CID 144693622) has the molecular formula C14H27F2N3O and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(6,6-difluoro-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-yl)acetamide;ethane.

Molecular Properties

Compound NameN-(6,6-difluoro-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-yl)acetamide;ethane
PubChem CID144693622
Molecular FormulaC14H27F2N3O
Molecular Weight291.39 g/mol
Exact Mass291.21
IUPAC NameN-(6,6-difluoro-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-yl)acetamide;ethane
SMILESCC.CC.CC.CC(=O)Nc1n[nH]c2c1CCC2(F)F
InChIInChI=1S/C8H9F2N3O.3C2H6/c1-4(14)11-7-5-2-3-8(9,10)6(5)12-13-7;3*1-2/h2-3H2,1H3,(H2,11,12,13,14);3*1-2H3
InChIKeyQTIHRBDSIQDRJV-UHFFFAOYSA-N
XLogP4.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6,6-difluoro-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-yl)acetamide;ethane?
The IUPAC name of N-(6,6-difluoro-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-yl)acetamide;ethane (CID 144693622) is N-(6,6-difluoro-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-yl)acetamide;ethane.
What is the SMILES notation for N-(6,6-difluoro-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-yl)acetamide;ethane?
The canonical SMILES for N-(6,6-difluoro-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-yl)acetamide;ethane is CC.CC.CC.CC(=O)Nc1n[nH]c2c1CCC2(F)F.
What is the InChIKey of N-(6,6-difluoro-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-yl)acetamide;ethane?
The InChIKey is QTIHRBDSIQDRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O.3C2H6/c1-4(14)11-7-5-2-3-8(9,10)6(5)12-13-7;3*1-2/h2-3H2,1H3,(H2,11,12,13,14);3*1-2H3.
What are the key properties of N-(6,6-difluoro-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-yl)acetamide;ethane?
N-(6,6-difluoro-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-yl)acetamide;ethane has a molecular weight of 291.39 g/mol, XLogP of 4.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6-difluoro-4,5-dihydro-1H-cyclopenta[d]pyrazol-3-yl)acetamide;ethane is sourced from PubChem (CID 144693622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).