2-[4-[[3-(difluoromethoxy)anilino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

C15H19F2N3O2 — CID 110905755

IUPAC2-[4-[[3-(difluoromethoxy)anilino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNc1cccc(OC(F)F)c1
InChIInChI=1S/C15H19F2N3O2/c1-10-14(11(2)20(19-10)6-7-21)9-18-12-4-3-5-13(8-12)22-15(16)17/h3-5,8,15,18,21H,6-7,9H2,1-2H3
InChIKeyCHDBXNNDHUUFDL-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.71
Rot. Bonds7

About 2-[4-[[3-(difluoromethoxy)anilino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

2-[4-[[3-(difluoromethoxy)anilino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (PubChem CID 110905755) has the molecular formula C15H19F2N3O2 and a molecular weight of 311.33 g/mol. Its IUPAC name is 2-[4-[[3-(difluoromethoxy)anilino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[3-(difluoromethoxy)anilino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
PubChem CID110905755
Molecular FormulaC15H19F2N3O2
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name2-[4-[[3-(difluoromethoxy)anilino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNc1cccc(OC(F)F)c1
InChIInChI=1S/C15H19F2N3O2/c1-10-14(11(2)20(19-10)6-7-21)9-18-12-4-3-5-13(8-12)22-15(16)17/h3-5,8,15,18,21H,6-7,9H2,1-2H3
InChIKeyCHDBXNNDHUUFDL-UHFFFAOYSA-N
XLogP2.71
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[3-(difluoromethoxy)anilino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

2-[3,5-dimethyl-4-[[3-(3-methylbutoxy)anilino]methyl]pyrazol-1-yl]ethanol
CID 110907633
2-[3,5-dimethyl-4-[(3-prop-2-enoxyanilino)methyl]pyrazol-1-yl]ethanol
CID 110906136
2-[3,5-dimethyl-4-[(naphthalen-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 110905723
2-[3,5-dimethyl-4-[[(6-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
CID 110905729
3-[3-(difluoromethoxy)anilino]-2,2-dimethylpropan-1-ol
CID 81412020
3-(2-methoxyethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 60935772
2-[4-[(4-cyclopentyloxyanilino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110905762
3-(difluoromethoxy)-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555165
2-[3,5-dimethyl-4-[(4-pyrazol-1-ylanilino)methyl]pyrazol-1-yl]ethanol
CID 110905750
2-[4-[[2-(2-methoxyphenyl)propan-2-ylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110932675
N-butyl-3-(difluoromethoxy)aniline
CID 43699124
2-[3,5-dimethyl-4-[[(3-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
CID 110905689

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(difluoromethoxy)anilino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[3-(difluoromethoxy)anilino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (CID 110905755) is 2-[4-[[3-(difluoromethoxy)anilino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[3-(difluoromethoxy)anilino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[3-(difluoromethoxy)anilino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CNc1cccc(OC(F)F)c1.
What is the InChIKey of 2-[4-[[3-(difluoromethoxy)anilino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The InChIKey is CHDBXNNDHUUFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2/c1-10-14(11(2)20(19-10)6-7-21)9-18-12-4-3-5-13(8-12)22-15(16)17/h3-5,8,15,18,21H,6-7,9H2,1-2H3.
What are the key properties of 2-[4-[[3-(difluoromethoxy)anilino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
2-[4-[[3-(difluoromethoxy)anilino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol has a molecular weight of 311.33 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(difluoromethoxy)anilino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is sourced from PubChem (CID 110905755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).