2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(4-methylpyrazol-1-yl)ethanone

C11H12F2N4O — CID 4772550

IUPAC2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(4-methylpyrazol-1-yl)ethanone
SMILESCc1cnn(C(=O)Cn2nc(C(F)F)cc2C)c1
InChIInChI=1S/C11H12F2N4O/c1-7-4-14-17(5-7)10(18)6-16-8(2)3-9(15-16)11(12)13/h3-5,11H,6H2,1-2H3
InChIKeyRTEXYKUDKBSFAA-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.97
Rot. Bonds3

About 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(4-methylpyrazol-1-yl)ethanone

2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(4-methylpyrazol-1-yl)ethanone (PubChem CID 4772550) has the molecular formula C11H12F2N4O and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(4-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(4-methylpyrazol-1-yl)ethanone
PubChem CID4772550
Molecular FormulaC11H12F2N4O
Molecular Weight254.24 g/mol
Exact Mass254.10
IUPAC Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(4-methylpyrazol-1-yl)ethanone
SMILESCc1cnn(C(=O)Cn2nc(C(F)F)cc2C)c1
InChIInChI=1S/C11H12F2N4O/c1-7-4-14-17(5-7)10(18)6-16-8(2)3-9(15-16)11(12)13/h3-5,11H,6H2,1-2H3
InChIKeyRTEXYKUDKBSFAA-UHFFFAOYSA-N
XLogP1.97
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(4-methylpyrazol-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(4-methylpyrazol-1-yl)ethanone?
The IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(4-methylpyrazol-1-yl)ethanone (CID 4772550) is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(4-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(4-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(4-methylpyrazol-1-yl)ethanone is Cc1cnn(C(=O)Cn2nc(C(F)F)cc2C)c1.
What is the InChIKey of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(4-methylpyrazol-1-yl)ethanone?
The InChIKey is RTEXYKUDKBSFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O/c1-7-4-14-17(5-7)10(18)6-16-8(2)3-9(15-16)11(12)13/h3-5,11H,6H2,1-2H3.
What are the key properties of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(4-methylpyrazol-1-yl)ethanone?
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-(4-methylpyrazol-1-yl)ethanone has a molecular weight of 254.24 g/mol, XLogP of 1.97, 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-(4-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 4772550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).