1-(1-fluoroethyl)-3,4-dimethylpyrazole

C7H11FN2 — CID 144872829

IUPAC1-(1-fluoroethyl)-3,4-dimethylpyrazole
SMILESCc1cn(C(C)F)nc1C
InChIInChI=1S/C7H11FN2/c1-5-4-10(7(3)8)9-6(5)2/h4,7H,1-3H3
InChIKeyAIFKABCGNWSXIQ-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.99
Rot. Bonds1

About 1-(1-fluoroethyl)-3,4-dimethylpyrazole

1-(1-fluoroethyl)-3,4-dimethylpyrazole (PubChem CID 144872829) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 1-(1-fluoroethyl)-3,4-dimethylpyrazole.

Molecular Properties

Compound Name1-(1-fluoroethyl)-3,4-dimethylpyrazole
PubChem CID144872829
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name1-(1-fluoroethyl)-3,4-dimethylpyrazole
SMILESCc1cn(C(C)F)nc1C
InChIInChI=1S/C7H11FN2/c1-5-4-10(7(3)8)9-6(5)2/h4,7H,1-3H3
InChIKeyAIFKABCGNWSXIQ-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoroethyl)-3,4-dimethylpyrazole?
The IUPAC name of 1-(1-fluoroethyl)-3,4-dimethylpyrazole (CID 144872829) is 1-(1-fluoroethyl)-3,4-dimethylpyrazole.
What is the SMILES notation for 1-(1-fluoroethyl)-3,4-dimethylpyrazole?
The canonical SMILES for 1-(1-fluoroethyl)-3,4-dimethylpyrazole is Cc1cn(C(C)F)nc1C.
What is the InChIKey of 1-(1-fluoroethyl)-3,4-dimethylpyrazole?
The InChIKey is AIFKABCGNWSXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2/c1-5-4-10(7(3)8)9-6(5)2/h4,7H,1-3H3.
What are the key properties of 1-(1-fluoroethyl)-3,4-dimethylpyrazole?
1-(1-fluoroethyl)-3,4-dimethylpyrazole has a molecular weight of 142.18 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoroethyl)-3,4-dimethylpyrazole is sourced from PubChem (CID 144872829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).