1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoropropan-1-one

C8H10F2N2O — CID 130634206

IUPAC1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoropropan-1-one
SMILESCc1nn(C)cc1C(=O)C(C)(F)F
InChIInChI=1S/C8H10F2N2O/c1-5-6(4-12(3)11-5)7(13)8(2,9)10/h4H,1-3H3
InChIKeyJDTDIRYQRLKTPX-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.57
Rot. Bonds2

About 1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoropropan-1-one

1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoropropan-1-one (PubChem CID 130634206) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoropropan-1-one.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoropropan-1-one
PubChem CID130634206
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoropropan-1-one
SMILESCc1nn(C)cc1C(=O)C(C)(F)F
InChIInChI=1S/C8H10F2N2O/c1-5-6(4-12(3)11-5)7(13)8(2,9)10/h4H,1-3H3
InChIKeyJDTDIRYQRLKTPX-UHFFFAOYSA-N
XLogP1.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(1,3-dimethylpyrazol-4-yl)-2-methylbutan-1-one
CID 127002507
1,3-dimethylpyrazole-4-carboxylic acid;ethane
CID 142969611
1-(1,3-dimethylpyrazol-4-yl)-2,2-dimethylhexan-1-one
CID 134301353
1,1,1-trifluoropropan-2-yl 1,3-dimethylpyrazole-4-carboxylate
CID 71987383
N-tert-butyl-1,3-dimethylpyrazole-4-carboxamide
CID 42352825
methyl 1,3-dimethylpyrazole-4-carboxylate
CID 12654287
2-chloro-1,3-bis(1,3-dimethylpyrazol-4-yl)propane-1,3-dione
CID 19588271
2-(4-tert-butylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanone
CID 102802701
3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 103790736
N-(3-hydroxy-2,2-dimethylpropyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103820667
4-(1,3-dimethylpyrazol-4-yl)-4-oxobutanoic acid
CID 83091303
1-(1,3-dimethylpyrazol-4-yl)-3-methylbut-2-en-1-one
CID 102802822

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoropropan-1-one?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoropropan-1-one (CID 130634206) is 1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoropropan-1-one.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoropropan-1-one?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoropropan-1-one is Cc1nn(C)cc1C(=O)C(C)(F)F.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoropropan-1-one?
The InChIKey is JDTDIRYQRLKTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-5-6(4-12(3)11-5)7(13)8(2,9)10/h4H,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoropropan-1-one?
1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoropropan-1-one has a molecular weight of 188.18 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoropropan-1-one is sourced from PubChem (CID 130634206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).