3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2,2-difluoropropan-1-ol

C9H15F2N3O — CID 106176584

IUPAC3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2,2-difluoropropan-1-ol
SMILESCc1cc(CNCC(F)(F)CO)n(C)n1
InChIInChI=1S/C9H15F2N3O/c1-7-3-8(14(2)13-7)4-12-5-9(10,11)6-15/h3,12,15H,4-6H2,1-2H3
InChIKeyLOZSASHMFPVVMN-UHFFFAOYSA-N
MW219.23 g/mol
LogP0.45
Rot. Bonds5

About 3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2,2-difluoropropan-1-ol

3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2,2-difluoropropan-1-ol (PubChem CID 106176584) has the molecular formula C9H15F2N3O and a molecular weight of 219.23 g/mol. Its IUPAC name is 3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2,2-difluoropropan-1-ol
PubChem CID106176584
Molecular FormulaC9H15F2N3O
Molecular Weight219.23 g/mol
Exact Mass219.12
IUPAC Name3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2,2-difluoropropan-1-ol
SMILESCc1cc(CNCC(F)(F)CO)n(C)n1
InChIInChI=1S/C9H15F2N3O/c1-7-3-8(14(2)13-7)4-12-5-9(10,11)6-15/h3,12,15H,4-6H2,1-2H3
InChIKeyLOZSASHMFPVVMN-UHFFFAOYSA-N
XLogP0.45
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2,2-difluoropropan-1-ol 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-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-amine
CID 16640649
N-[(1,3-Dimethyl-1H-Pyrazol-5-Yl)Methyl]-N-Methylamine
CID 23005845
3-(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-propylamine
CID 7018524
2-[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]ethanol
CID 19619759
2-[3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]ethanol
CID 89833798
[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine hydrochloride
CID 90482944
methyl({[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl})amine hydrochloride
CID 90486250
(3-(difluoromethyl)-1-methyl-1H-pyrazol-5-yl)methanamine hydrochloride
CID 138040498
Methyl{[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl}amine
CID 60136591
1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propan-2-amine
CID 19620825
1-((1-Ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)methyl)piperazine
CID 25248516
[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamine
CID 50896786

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2,2-difluoropropan-1-ol (CID 106176584) is 3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2,2-difluoropropan-1-ol is Cc1cc(CNCC(F)(F)CO)n(C)n1.
What is the InChIKey of 3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2,2-difluoropropan-1-ol?
The InChIKey is LOZSASHMFPVVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O/c1-7-3-8(14(2)13-7)4-12-5-9(10,11)6-15/h3,12,15H,4-6H2,1-2H3.
What are the key properties of 3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2,2-difluoropropan-1-ol?
3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2,2-difluoropropan-1-ol has a molecular weight of 219.23 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylpyrazol-3-yl)methylamino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106176584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).