1-(fluoromethyl)-3,4,5-trimethylpyrazole

C7H11FN2 — CID 23392039

IUPAC1-(fluoromethyl)-3,4,5-trimethylpyrazole
SMILESCc1nn(CF)c(C)c1C
InChIInChI=1S/C7H11FN2/c1-5-6(2)9-10(4-8)7(5)3/h4H2,1-3H3
InChIKeyGCZUFENXHPVOEX-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.74
Rot. Bonds1

About 1-(fluoromethyl)-3,4,5-trimethylpyrazole

1-(fluoromethyl)-3,4,5-trimethylpyrazole (PubChem CID 23392039) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 1-(fluoromethyl)-3,4,5-trimethylpyrazole.

Molecular Properties

Compound Name1-(fluoromethyl)-3,4,5-trimethylpyrazole
PubChem CID23392039
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name1-(fluoromethyl)-3,4,5-trimethylpyrazole
SMILESCc1nn(CF)c(C)c1C
InChIInChI=1S/C7H11FN2/c1-5-6(2)9-10(4-8)7(5)3/h4H2,1-3H3
InChIKeyGCZUFENXHPVOEX-UHFFFAOYSA-N
XLogP1.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-3,4,5-trimethylpyrazole?
The IUPAC name of 1-(fluoromethyl)-3,4,5-trimethylpyrazole (CID 23392039) is 1-(fluoromethyl)-3,4,5-trimethylpyrazole.
What is the SMILES notation for 1-(fluoromethyl)-3,4,5-trimethylpyrazole?
The canonical SMILES for 1-(fluoromethyl)-3,4,5-trimethylpyrazole is Cc1nn(CF)c(C)c1C.
What is the InChIKey of 1-(fluoromethyl)-3,4,5-trimethylpyrazole?
The InChIKey is GCZUFENXHPVOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2/c1-5-6(2)9-10(4-8)7(5)3/h4H2,1-3H3.
What are the key properties of 1-(fluoromethyl)-3,4,5-trimethylpyrazole?
1-(fluoromethyl)-3,4,5-trimethylpyrazole has a molecular weight of 142.18 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-3,4,5-trimethylpyrazole is sourced from PubChem (CID 23392039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).