2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-pyrazolidin-1-ylethanone

C11H16F2N4O — CID 86785443

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-pyrazolidin-1-ylethanone
SMILESCc1nn(C(F)F)c(C)c1CC(=O)N1CCCN1
InChIInChI=1S/C11H16F2N4O/c1-7-9(8(2)17(15-7)11(12)13)6-10(18)16-5-3-4-14-16/h11,14H,3-6H2,1-2H3
InChIKeyZLRUPYPCRGNLNK-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.17
Rot. Bonds3

About 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-pyrazolidin-1-ylethanone

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-pyrazolidin-1-ylethanone (PubChem CID 86785443) has the molecular formula C11H16F2N4O and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-pyrazolidin-1-ylethanone.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-pyrazolidin-1-ylethanone
PubChem CID86785443
Molecular FormulaC11H16F2N4O
Molecular Weight258.27 g/mol
Exact Mass258.13
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-pyrazolidin-1-ylethanone
SMILESCc1nn(C(F)F)c(C)c1CC(=O)N1CCCN1
InChIInChI=1S/C11H16F2N4O/c1-7-9(8(2)17(15-7)11(12)13)6-10(18)16-5-3-4-14-16/h11,14H,3-6H2,1-2H3
InChIKeyZLRUPYPCRGNLNK-UHFFFAOYSA-N
XLogP1.17
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47018724
N,N-diethyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 45862482
2-Fluoro-1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide
CID 170519099
2,2,3,3,4,4,4-heptafluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide
CID 19282271
N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 31062541
N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 31062543
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 31062545
N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 31062546
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 36820880
N-[2-(trifluoromethylsulfanyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47042769
1-(4-Acetylpiperazin-1-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanone
CID 48650847
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methylbutan-2-yl)acetamide
CID 48651580

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-pyrazolidin-1-ylethanone?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-pyrazolidin-1-ylethanone (CID 86785443) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-pyrazolidin-1-ylethanone.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-pyrazolidin-1-ylethanone?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-pyrazolidin-1-ylethanone is Cc1nn(C(F)F)c(C)c1CC(=O)N1CCCN1.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-pyrazolidin-1-ylethanone?
The InChIKey is ZLRUPYPCRGNLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4O/c1-7-9(8(2)17(15-7)11(12)13)6-10(18)16-5-3-4-14-16/h11,14H,3-6H2,1-2H3.
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-pyrazolidin-1-ylethanone?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-pyrazolidin-1-ylethanone has a molecular weight of 258.27 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-1-pyrazolidin-1-ylethanone is sourced from PubChem (CID 86785443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).