1-fluoro-3,4,5-trimethylpyrazole

C6H9FN2 — CID 143436393

IUPAC1-fluoro-3,4,5-trimethylpyrazole
SMILESCc1nn(F)c(C)c1C
InChIInChI=1S/C6H9FN2/c1-4-5(2)8-9(7)6(4)3/h1-3H3
InChIKeyCLESOSDMOJPPGM-UHFFFAOYSA-N
MW128.15 g/mol
LogP1.54
Rot. Bonds

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

1-fluoro-3,4,5-trimethylpyrazole (PubChem CID 143436393) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is 1-fluoro-3,4,5-trimethylpyrazole.

Molecular Properties

Compound Name1-fluoro-3,4,5-trimethylpyrazole
PubChem CID143436393
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name1-fluoro-3,4,5-trimethylpyrazole
SMILESCc1nn(F)c(C)c1C
InChIInChI=1S/C6H9FN2/c1-4-5(2)8-9(7)6(4)3/h1-3H3
InChIKeyCLESOSDMOJPPGM-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5-Trimethylpyrazole
CID 138528
3,5-Dimethyl-4-ethylpyrazole
CID 572877
N,N,3,4,5-pentamethylpyrazole-1-sulfonamide
CID 2986231
(1-Hydroxy-3,5-dimethylpyrazol-4-yl)methanamine
CID 71561433
1,2,3-Triazine, 4,5,6-trimethyl-
CID 141767
3,4,5-Trimethyl-1H-pyrazol-1-amine
CID 12674537
4-ethyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 18735151
3-(fluoromethyl)-4,5-dimethyl-1H-pyrazole
CID 68210483
4-ethyl-3-fluoro-5-methyl-1H-pyrazole
CID 68381607
3-(difluoromethyl)-4-ethyl-5-methyl-1H-pyrazole
CID 89310016
3-(difluoromethyl)-4,5-dimethyl-1H-pyrazole
CID 89861410
4-Fluoro-1-iodo-3,5-dimethylpyrazole
CID 129180754

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3,4,5-trimethylpyrazole?
The IUPAC name of 1-fluoro-3,4,5-trimethylpyrazole (CID 143436393) is 1-fluoro-3,4,5-trimethylpyrazole.
What is the SMILES notation for 1-fluoro-3,4,5-trimethylpyrazole?
The canonical SMILES for 1-fluoro-3,4,5-trimethylpyrazole is Cc1nn(F)c(C)c1C.
What is the InChIKey of 1-fluoro-3,4,5-trimethylpyrazole?
The InChIKey is CLESOSDMOJPPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2/c1-4-5(2)8-9(7)6(4)3/h1-3H3.
What are the key properties of 1-fluoro-3,4,5-trimethylpyrazole?
1-fluoro-3,4,5-trimethylpyrazole has a molecular weight of 128.15 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3,4,5-trimethylpyrazole is sourced from PubChem (CID 143436393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).