3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol

C9H15F2N3O — CID 104857377

IUPAC3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
SMILESCc1c(CNCC(F)(F)CO)cnn1C
InChIInChI=1S/C9H15F2N3O/c1-7-8(4-13-14(7)2)3-12-5-9(10,11)6-15/h4,12,15H,3,5-6H2,1-2H3
InChIKeyGWZCHSQTJFEWRE-UHFFFAOYSA-N
MW219.23 g/mol
LogP0.45
Rot. Bonds5

About 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol

3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol (PubChem CID 104857377) has the molecular formula C9H15F2N3O and a molecular weight of 219.23 g/mol. Its IUPAC name is 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
PubChem CID104857377
Molecular FormulaC9H15F2N3O
Molecular Weight219.23 g/mol
Exact Mass219.12
IUPAC Name3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
SMILESCc1c(CNCC(F)(F)CO)cnn1C
InChIInChI=1S/C9H15F2N3O/c1-7-8(4-13-14(7)2)3-12-5-9(10,11)6-15/h4,12,15H,3,5-6H2,1-2H3
InChIKeyGWZCHSQTJFEWRE-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

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 103851304
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 122167904
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide
CID 79578533
2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 106033812
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 126964678
3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857471
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526354
4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]benzoic acid
CID 19624595
6-[(1,5-dimethylpyrazol-4-yl)methylamino]hexan-3-ol
CID 115768038
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 115896749
2-tert-butylsulfanyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115767802
1-(4-tert-butylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 103851453

Frequently Asked Questions

What is the IUPAC name of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol (CID 104857377) is 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol is Cc1c(CNCC(F)(F)CO)cnn1C.
What is the InChIKey of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol?
The InChIKey is GWZCHSQTJFEWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O/c1-7-8(4-13-14(7)2)3-12-5-9(10,11)6-15/h4,12,15H,3,5-6H2,1-2H3.
What are the key properties of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol?
3-[(1,5-dimethylpyrazol-4-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-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104857377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).