5-fluoro-1,3-dimethylpyrazole

C5H7FN2 — CID 66974728

IUPAC5-fluoro-1,3-dimethylpyrazole
SMILESCc1cc(F)n(C)n1
InChIInChI=1S/C5H7FN2/c1-4-3-5(6)8(2)7-4/h3H,1-2H3
InChIKeyYBSBUXVXUOXKOR-UHFFFAOYSA-N
MW114.12 g/mol
LogP0.87
Rot. Bonds

About 5-fluoro-1,3-dimethylpyrazole

5-fluoro-1,3-dimethylpyrazole (PubChem CID 66974728) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is 5-fluoro-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-fluoro-1,3-dimethylpyrazole
PubChem CID66974728
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name5-fluoro-1,3-dimethylpyrazole
SMILESCc1cc(F)n(C)n1
InChIInChI=1S/C5H7FN2/c1-4-3-5(6)8(2)7-4/h3H,1-2H3
InChIKeyYBSBUXVXUOXKOR-UHFFFAOYSA-N
XLogP0.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Pyrazole, 1,3-dimethyl-
CID 79096
1,3,5-Trimethylpyrazole
CID 14081
1,5-Dimethylpyrazole
CID 136502
5-Bromo-1,3-dimethyl-1H-pyrazole
CID 21724031
1-Methyl-3-(trifluoroMethyl)pyrazole-5-boronic acid
CID 12056713
5-Chloro-1,3-dimethylpyrazole
CID 521507
5-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 12035665
1,5-Dimethyl-3-(trifluoromethyl)pyrazole
CID 12747525
1-Methyl-5-(trifluoromethyl)-1H-pyrazole
CID 15420922
3-Bromo-1,5-dimethyl-1H-pyrazole
CID 21724046
3-Chloro-1,5-dimethyl-1H-pyrazole
CID 17835480
5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 1259981

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3-dimethylpyrazole?
The IUPAC name of 5-fluoro-1,3-dimethylpyrazole (CID 66974728) is 5-fluoro-1,3-dimethylpyrazole.
What is the SMILES notation for 5-fluoro-1,3-dimethylpyrazole?
The canonical SMILES for 5-fluoro-1,3-dimethylpyrazole is Cc1cc(F)n(C)n1.
What is the InChIKey of 5-fluoro-1,3-dimethylpyrazole?
The InChIKey is YBSBUXVXUOXKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2/c1-4-3-5(6)8(2)7-4/h3H,1-2H3.
What are the key properties of 5-fluoro-1,3-dimethylpyrazole?
5-fluoro-1,3-dimethylpyrazole has a molecular weight of 114.12 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-dimethylpyrazole is sourced from PubChem (CID 66974728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).