2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone

C12H14F2N4O — CID 844732

IUPAC2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone
SMILESCc1cc(C)n(C(=O)Cn2nc(C(F)F)cc2C)n1
InChIInChI=1S/C12H14F2N4O/c1-7-4-9(3)18(15-7)11(19)6-17-8(2)5-10(16-17)12(13)14/h4-5,12H,6H2,1-3H3
InChIKeyKFUYUCLZARMBID-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.28
Rot. Bonds3

About 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone

2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone (PubChem CID 844732) has the molecular formula C12H14F2N4O and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone
PubChem CID844732
Molecular FormulaC12H14F2N4O
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone
SMILESCc1cc(C)n(C(=O)Cn2nc(C(F)F)cc2C)n1
InChIInChI=1S/C12H14F2N4O/c1-7-4-9(3)18(15-7)11(19)6-17-8(2)5-10(16-17)12(13)14/h4-5,12H,6H2,1-3H3
InChIKeyKFUYUCLZARMBID-UHFFFAOYSA-N
XLogP2.28
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone?
The IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone (CID 844732) is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone.
What is the SMILES notation for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone?
The canonical SMILES for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone is Cc1cc(C)n(C(=O)Cn2nc(C(F)F)cc2C)n1.
What is the InChIKey of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone?
The InChIKey is KFUYUCLZARMBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4O/c1-7-4-9(3)18(15-7)11(19)6-17-8(2)5-10(16-17)12(13)14/h4-5,12H,6H2,1-3H3.
What are the key properties of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone?
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone has a molecular weight of 268.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone is sourced from PubChem (CID 844732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).