(2,3-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanone

C12H10F2N2O — CID 105101862

IUPAC(2,3-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)c2cccc(F)c2F)cnn1C
InChIInChI=1S/C12H10F2N2O/c1-7-9(6-15-16(7)2)12(17)8-4-3-5-10(13)11(8)14/h3-6H,1-2H3
InChIKeyRJKALKUVTSNBPE-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.24
Rot. Bonds2

About (2,3-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanone

(2,3-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanone (PubChem CID 105101862) has the molecular formula C12H10F2N2O and a molecular weight of 236.22 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanone
PubChem CID105101862
Molecular FormulaC12H10F2N2O
Molecular Weight236.22 g/mol
Exact Mass236.08
IUPAC Name(2,3-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)c2cccc(F)c2F)cnn1C
InChIInChI=1S/C12H10F2N2O/c1-7-9(6-15-16(7)2)12(17)8-4-3-5-10(13)11(8)14/h3-6H,1-2H3
InChIKeyRJKALKUVTSNBPE-UHFFFAOYSA-N
XLogP2.24
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1,5-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone
CID 105096035
(2,3-difluorophenyl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802768
(1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methanone
CID 105100479
(3-bromo-2-methylphenyl)-(2,3-difluorophenyl)methanone
CID 114973529
(1,5-dimethylpyrazol-4-yl)-(furan-3-yl)methanone
CID 105099168
3-(2-chloro-6-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)prop-2-en-1-one
CID 4866865
(2,3-difluorophenyl)-(5-methylpyrazin-2-yl)methanone
CID 105101741
2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
CID 106047246
(2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanone
CID 107976884
1,5-dimethyl-N-phenylpyrazole-4-carboxamide
CID 13031735
1-(1,5-dimethylpyrazol-4-yl)-4,4,4-trifluorobutane-1,3-dione
CID 17024719
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-2-hydrazinylbenzamide
CID 106040117

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanone?
The IUPAC name of (2,3-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanone (CID 105101862) is (2,3-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for (2,3-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for (2,3-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanone is Cc1c(C(=O)c2cccc(F)c2F)cnn1C.
What is the InChIKey of (2,3-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanone?
The InChIKey is RJKALKUVTSNBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O/c1-7-9(6-15-16(7)2)12(17)8-4-3-5-10(13)11(8)14/h3-6H,1-2H3.
What are the key properties of (2,3-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanone?
(2,3-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanone has a molecular weight of 236.22 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 105101862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).