dideuterio-[3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]methanol

C11H10F2N2O — CID 175937262

IUPACdideuterio-[3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]methanol
SMILES[2H]C([2H])(O)c1cccc(-c2cnn(C(F)F)c2)c1
InChIInChI=1S/C11H10F2N2O/c12-11(13)15-6-10(5-14-15)9-3-1-2-8(4-9)7-16/h1-6,11,16H,7H2/i7D2
InChIKeyGXMHYMBRGIAXGL-RJSZUWSASA-N
MW226.22 g/mol
LogP2.44
Rot. Bonds3

About dideuterio-[3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]methanol

dideuterio-[3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]methanol (PubChem CID 175937262) has the molecular formula C11H10F2N2O and a molecular weight of 226.22 g/mol. Its IUPAC name is dideuterio-[3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]methanol.

Molecular Properties

Compound Namedideuterio-[3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]methanol
PubChem CID175937262
Molecular FormulaC11H10F2N2O
Molecular Weight226.22 g/mol
Exact Mass226.09
IUPAC Namedideuterio-[3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]methanol
SMILES[2H]C([2H])(O)c1cccc(-c2cnn(C(F)F)c2)c1
InChIInChI=1S/C11H10F2N2O/c12-11(13)15-6-10(5-14-15)9-3-1-2-8(4-9)7-16/h1-6,11,16H,7H2/i7D2
InChIKeyGXMHYMBRGIAXGL-RJSZUWSASA-N
XLogP2.44
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze dideuterio-[3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]methanol 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 dideuterio-[3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]methanol?
The IUPAC name of dideuterio-[3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]methanol (CID 175937262) is dideuterio-[3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]methanol.
What is the SMILES notation for dideuterio-[3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]methanol?
The canonical SMILES for dideuterio-[3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]methanol is [2H]C([2H])(O)c1cccc(-c2cnn(C(F)F)c2)c1.
What is the InChIKey of dideuterio-[3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]methanol?
The InChIKey is GXMHYMBRGIAXGL-RJSZUWSASA-N. The full InChI is InChI=1S/C11H10F2N2O/c12-11(13)15-6-10(5-14-15)9-3-1-2-8(4-9)7-16/h1-6,11,16H,7H2/i7D2.
What are the key properties of dideuterio-[3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]methanol?
dideuterio-[3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]methanol has a molecular weight of 226.22 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dideuterio-[3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]methanol is sourced from PubChem (CID 175937262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).