5-fluoro-1,3,4-trimethylpyrazole

C6H9FN2 — CID 22980788

IUPAC5-fluoro-1,3,4-trimethylpyrazole
SMILESCc1nn(C)c(F)c1C
InChIInChI=1S/C6H9FN2/c1-4-5(2)8-9(3)6(4)7/h1-3H3
InChIKeyZRHZIAUHJZFNNV-UHFFFAOYSA-N
MW128.15 g/mol
LogP1.18
Rot. Bonds

About 5-fluoro-1,3,4-trimethylpyrazole

5-fluoro-1,3,4-trimethylpyrazole (PubChem CID 22980788) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is 5-fluoro-1,3,4-trimethylpyrazole.

Molecular Properties

Compound Name5-fluoro-1,3,4-trimethylpyrazole
PubChem CID22980788
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name5-fluoro-1,3,4-trimethylpyrazole
SMILESCc1nn(C)c(F)c1C
InChIInChI=1S/C6H9FN2/c1-4-5(2)8-9(3)6(4)7/h1-3H3
InChIKeyZRHZIAUHJZFNNV-UHFFFAOYSA-N
XLogP1.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,4,5-Tetramethyl-1H-pyrazole
CID 579642
1H-Pyrazole, 5-fluoro-1,3-dimethyl-
CID 66974728
4-bromo-5-fluoro-1,3-dimethyl-1H-pyrazole
CID 71833020
1,4,5-Trimethylpyrazole
CID 12115801
4-Fluoro-1,3,5-trimethyl-1H-pyrazole
CID 89719861
4,5-Diiodo-1,3-dimethylpyrazole
CID 3512863
4-(chloromethyl)-5-fluoro-1,3-dimethyl-1H-pyrazole hydrochloride
CID 126965018
5-fluoro-1,3-dimethyl-1H-pyrazole-4-carbonitrile
CID 145913324
5-chloro-1,3,4-trimethyl-1H-pyrazole
CID 21766262
4-bromomethyl-5-fluoro-1-methyl-3-trifluoromethyl-1H-pyrazole
CID 17862889
3-Fluoro-1,5-dimethylpyrazole
CID 20756496
1-(Difluoromethyl)-3,4,5-trimethylpyrazole
CID 21136569

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3,4-trimethylpyrazole?
The IUPAC name of 5-fluoro-1,3,4-trimethylpyrazole (CID 22980788) is 5-fluoro-1,3,4-trimethylpyrazole.
What is the SMILES notation for 5-fluoro-1,3,4-trimethylpyrazole?
The canonical SMILES for 5-fluoro-1,3,4-trimethylpyrazole is Cc1nn(C)c(F)c1C.
What is the InChIKey of 5-fluoro-1,3,4-trimethylpyrazole?
The InChIKey is ZRHZIAUHJZFNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2/c1-4-5(2)8-9(3)6(4)7/h1-3H3.
What are the key properties of 5-fluoro-1,3,4-trimethylpyrazole?
5-fluoro-1,3,4-trimethylpyrazole has a molecular weight of 128.15 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3,4-trimethylpyrazole is sourced from PubChem (CID 22980788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).