6,6-difluoro-N,4-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazole-3-carboxamide

C9H11F2N3O — CID 123580672

IUPAC6,6-difluoro-N,4-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2c1C(C)CC2(F)F
InChIInChI=1S/C9H11F2N3O/c1-4-3-9(10,11)7-5(4)6(13-14-7)8(15)12-2/h4H,3H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyFKSAXIZXJIUIDD-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.37
Rot. Bonds1

About 6,6-difluoro-N,4-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazole-3-carboxamide

6,6-difluoro-N,4-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 123580672) has the molecular formula C9H11F2N3O and a molecular weight of 215.20 g/mol. Its IUPAC name is 6,6-difluoro-N,4-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name6,6-difluoro-N,4-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID123580672
Molecular FormulaC9H11F2N3O
Molecular Weight215.20 g/mol
Exact Mass215.09
IUPAC Name6,6-difluoro-N,4-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c2c1C(C)CC2(F)F
InChIInChI=1S/C9H11F2N3O/c1-4-3-9(10,11)7-5(4)6(13-14-7)8(15)12-2/h4H,3H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyFKSAXIZXJIUIDD-UHFFFAOYSA-N
XLogP1.37
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-N,4-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 6,6-difluoro-N,4-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazole-3-carboxamide (CID 123580672) is 6,6-difluoro-N,4-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 6,6-difluoro-N,4-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 6,6-difluoro-N,4-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazole-3-carboxamide is CNC(=O)c1n[nH]c2c1C(C)CC2(F)F.
What is the InChIKey of 6,6-difluoro-N,4-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is FKSAXIZXJIUIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O/c1-4-3-9(10,11)7-5(4)6(13-14-7)8(15)12-2/h4H,3H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 6,6-difluoro-N,4-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazole-3-carboxamide?
6,6-difluoro-N,4-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 215.20 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-N,4-dimethyl-4,5-dihydro-1H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 123580672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).