3-(3,3-difluoroazetidin-1-yl)-1,5-dimethylpyrazole

C8H11F2N3 — CID 118448522

IUPAC3-(3,3-difluoroazetidin-1-yl)-1,5-dimethylpyrazole
SMILESCc1cc(N2CC(F)(F)C2)nn1C
InChIInChI=1S/C8H11F2N3/c1-6-3-7(11-12(6)2)13-4-8(9,10)5-13/h3H,4-5H2,1-2H3
InChIKeyYIUXQCHZIBBFSW-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.18
Rot. Bonds1

About 3-(3,3-difluoroazetidin-1-yl)-1,5-dimethylpyrazole

3-(3,3-difluoroazetidin-1-yl)-1,5-dimethylpyrazole (PubChem CID 118448522) has the molecular formula C8H11F2N3 and a molecular weight of 187.19 g/mol. Its IUPAC name is 3-(3,3-difluoroazetidin-1-yl)-1,5-dimethylpyrazole.

Molecular Properties

Compound Name3-(3,3-difluoroazetidin-1-yl)-1,5-dimethylpyrazole
PubChem CID118448522
Molecular FormulaC8H11F2N3
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC Name3-(3,3-difluoroazetidin-1-yl)-1,5-dimethylpyrazole
SMILESCc1cc(N2CC(F)(F)C2)nn1C
InChIInChI=1S/C8H11F2N3/c1-6-3-7(11-12(6)2)13-4-8(9,10)5-13/h3H,4-5H2,1-2H3
InChIKeyYIUXQCHZIBBFSW-UHFFFAOYSA-N
XLogP1.18
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 19622835
3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine
CID 45600694
1-(2,2-difluoroethyl)-5-methyl-1H-pyrazol-3-amine
CID 19622837
1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 19623304
1-(2,2-difluoroethyl)-3-methyl-1H-pyrazol-5-amine
CID 25247599
1-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 25247986
1-isopropyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 25252407
1-Pentyl-3-(trifluoromethyl)pyrazol-5-amine
CID 70407210
N-isopropyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 71633044
1-(2-Methylpropyl)-5-(trifluoromethyl)pyrazol-3-amine
CID 79872620
1-Isopropyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 79873269
1-Butyl-5-(trifluoromethyl)pyrazol-3-amine
CID 79873467

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoroazetidin-1-yl)-1,5-dimethylpyrazole?
The IUPAC name of 3-(3,3-difluoroazetidin-1-yl)-1,5-dimethylpyrazole (CID 118448522) is 3-(3,3-difluoroazetidin-1-yl)-1,5-dimethylpyrazole.
What is the SMILES notation for 3-(3,3-difluoroazetidin-1-yl)-1,5-dimethylpyrazole?
The canonical SMILES for 3-(3,3-difluoroazetidin-1-yl)-1,5-dimethylpyrazole is Cc1cc(N2CC(F)(F)C2)nn1C.
What is the InChIKey of 3-(3,3-difluoroazetidin-1-yl)-1,5-dimethylpyrazole?
The InChIKey is YIUXQCHZIBBFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3/c1-6-3-7(11-12(6)2)13-4-8(9,10)5-13/h3H,4-5H2,1-2H3.
What are the key properties of 3-(3,3-difluoroazetidin-1-yl)-1,5-dimethylpyrazole?
3-(3,3-difluoroazetidin-1-yl)-1,5-dimethylpyrazole has a molecular weight of 187.19 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoroazetidin-1-yl)-1,5-dimethylpyrazole is sourced from PubChem (CID 118448522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).