1-(2-fluoroethyl)-3,5-dimethylpyrazole

C7H11FN2 — CID 14449515

IUPAC1-(2-fluoroethyl)-3,5-dimethylpyrazole
SMILESCc1cc(C)n(CCF)n1
InChIInChI=1S/C7H11FN2/c1-6-5-7(2)10(9-6)4-3-8/h5H,3-4H2,1-2H3
InChIKeySZGXNTKHOLDDIT-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.47
Rot. Bonds2

About 1-(2-fluoroethyl)-3,5-dimethylpyrazole

1-(2-fluoroethyl)-3,5-dimethylpyrazole (PubChem CID 14449515) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3,5-dimethylpyrazole
PubChem CID14449515
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name1-(2-fluoroethyl)-3,5-dimethylpyrazole
SMILESCc1cc(C)n(CCF)n1
InChIInChI=1S/C7H11FN2/c1-6-5-7(2)10(9-6)4-3-8/h5H,3-4H2,1-2H3
InChIKeySZGXNTKHOLDDIT-UHFFFAOYSA-N
XLogP1.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3,5-dimethylpyrazole?
The IUPAC name of 1-(2-fluoroethyl)-3,5-dimethylpyrazole (CID 14449515) is 1-(2-fluoroethyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(2-fluoroethyl)-3,5-dimethylpyrazole?
The canonical SMILES for 1-(2-fluoroethyl)-3,5-dimethylpyrazole is Cc1cc(C)n(CCF)n1.
What is the InChIKey of 1-(2-fluoroethyl)-3,5-dimethylpyrazole?
The InChIKey is SZGXNTKHOLDDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2/c1-6-5-7(2)10(9-6)4-3-8/h5H,3-4H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-3,5-dimethylpyrazole?
1-(2-fluoroethyl)-3,5-dimethylpyrazole has a molecular weight of 142.18 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 14449515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).