1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-methylpyrazol-1-yl)ethanone

C11H12F4N4O2 — CID 17020448

IUPAC1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
SMILESCc1ccnn1CC(=O)N1N=C(C(F)F)CC1(O)C(F)F
InChIInChI=1S/C11H12F4N4O2/c1-6-2-3-16-18(6)5-8(20)19-11(21,10(14)15)4-7(17-19)9(12)13/h2-3,9-10,21H,4-5H2,1H3
InChIKeyDNEVYNDWTKTTJM-UHFFFAOYSA-N
MW308.24 g/mol
LogP1.00
Rot. Bonds4

About 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-methylpyrazol-1-yl)ethanone

1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-methylpyrazol-1-yl)ethanone (PubChem CID 17020448) has the molecular formula C11H12F4N4O2 and a molecular weight of 308.24 g/mol. Its IUPAC name is 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
PubChem CID17020448
Molecular FormulaC11H12F4N4O2
Molecular Weight308.24 g/mol
Exact Mass308.09
IUPAC Name1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
SMILESCc1ccnn1CC(=O)N1N=C(C(F)F)CC1(O)C(F)F
InChIInChI=1S/C11H12F4N4O2/c1-6-2-3-16-18(6)5-8(20)19-11(21,10(14)15)4-7(17-19)9(12)13/h2-3,9-10,21H,4-5H2,1H3
InChIKeyDNEVYNDWTKTTJM-UHFFFAOYSA-N
XLogP1.00
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-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 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-methylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-methylpyrazol-1-yl)ethanone (CID 17020448) is 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-methylpyrazol-1-yl)ethanone is Cc1ccnn1CC(=O)N1N=C(C(F)F)CC1(O)C(F)F.
What is the InChIKey of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-methylpyrazol-1-yl)ethanone?
The InChIKey is DNEVYNDWTKTTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N4O2/c1-6-2-3-16-18(6)5-8(20)19-11(21,10(14)15)4-7(17-19)9(12)13/h2-3,9-10,21H,4-5H2,1H3.
What are the key properties of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-methylpyrazol-1-yl)ethanone?
1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-methylpyrazol-1-yl)ethanone has a molecular weight of 308.24 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(5-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 17020448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).