3-(fluoromethyl)-1,5-dimethylpyrazole

C6H9FN2 — CID 89041006

IUPAC3-(fluoromethyl)-1,5-dimethylpyrazole
SMILESCc1cc(CF)nn1C
InChIInChI=1S/C6H9FN2/c1-5-3-6(4-7)8-9(5)2/h3H,4H2,1-2H3
InChIKeyHVLVQVMYQFFLQF-UHFFFAOYSA-N
MW128.15 g/mol
LogP1.20
Rot. Bonds1

About 3-(fluoromethyl)-1,5-dimethylpyrazole

3-(fluoromethyl)-1,5-dimethylpyrazole (PubChem CID 89041006) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is 3-(fluoromethyl)-1,5-dimethylpyrazole.

Molecular Properties

Compound Name3-(fluoromethyl)-1,5-dimethylpyrazole
PubChem CID89041006
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name3-(fluoromethyl)-1,5-dimethylpyrazole
SMILESCc1cc(CF)nn1C
InChIInChI=1S/C6H9FN2/c1-5-3-6(4-7)8-9(5)2/h3H,4H2,1-2H3
InChIKeyHVLVQVMYQFFLQF-UHFFFAOYSA-N
XLogP1.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dimethylpyrazol-1-methanol
CID 96393
(1,3-Dimethyl-1H-pyrazol-5-yl)methanamine
CID 1257670
1-Allyl-3,5-dimethylpyrazole
CID 25930
2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethan-1-ol
CID 259665
2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-amine
CID 1091687
3-(3,5-Dimethyl-1H-pyrazol-1-yl)propan-1-amine
CID 2056783
1,3,5-Trimethylpyrazole
CID 14081
1,2-Bis(3,5-dimethylpyrazol-1-yl)ethane
CID 661322
(1,5-dimethyl-1H-pyrazol-3-yl)methanamine
CID 2776367
3,5-dimethyl-1-octyl-1H-pyrazole
CID 573081
1,5-Dimethyl-3-(trifluoromethyl)pyrazole
CID 12747525
1,1'-(2-butene-1,4-diyl)bis(3,5-dimethyl-1H-pyrazole)
CID 2055740

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1,5-dimethylpyrazole?
The IUPAC name of 3-(fluoromethyl)-1,5-dimethylpyrazole (CID 89041006) is 3-(fluoromethyl)-1,5-dimethylpyrazole.
What is the SMILES notation for 3-(fluoromethyl)-1,5-dimethylpyrazole?
The canonical SMILES for 3-(fluoromethyl)-1,5-dimethylpyrazole is Cc1cc(CF)nn1C.
What is the InChIKey of 3-(fluoromethyl)-1,5-dimethylpyrazole?
The InChIKey is HVLVQVMYQFFLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2/c1-5-3-6(4-7)8-9(5)2/h3H,4H2,1-2H3.
What are the key properties of 3-(fluoromethyl)-1,5-dimethylpyrazole?
3-(fluoromethyl)-1,5-dimethylpyrazole has a molecular weight of 128.15 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1,5-dimethylpyrazole is sourced from PubChem (CID 89041006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).