1-(2-fluoroethyl)-4-methylpyrazole

C6H9FN2 — CID 58514736

IUPAC1-(2-fluoroethyl)-4-methylpyrazole
SMILESCc1cnn(CCF)c1
InChIInChI=1S/C6H9FN2/c1-6-4-8-9(5-6)3-2-7/h4-5H,2-3H2,1H3
InChIKeyHHKRMNAYSYYGDO-UHFFFAOYSA-N
MW128.15 g/mol
LogP1.16
Rot. Bonds2

About 1-(2-fluoroethyl)-4-methylpyrazole

1-(2-fluoroethyl)-4-methylpyrazole (PubChem CID 58514736) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-methylpyrazole.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-methylpyrazole
PubChem CID58514736
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name1-(2-fluoroethyl)-4-methylpyrazole
SMILESCc1cnn(CCF)c1
InChIInChI=1S/C6H9FN2/c1-6-4-8-9(5-6)3-2-7/h4-5H,2-3H2,1H3
InChIKeyHHKRMNAYSYYGDO-UHFFFAOYSA-N
XLogP1.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-methylpyrazole?
The IUPAC name of 1-(2-fluoroethyl)-4-methylpyrazole (CID 58514736) is 1-(2-fluoroethyl)-4-methylpyrazole.
What is the SMILES notation for 1-(2-fluoroethyl)-4-methylpyrazole?
The canonical SMILES for 1-(2-fluoroethyl)-4-methylpyrazole is Cc1cnn(CCF)c1.
What is the InChIKey of 1-(2-fluoroethyl)-4-methylpyrazole?
The InChIKey is HHKRMNAYSYYGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2/c1-6-4-8-9(5-6)3-2-7/h4-5H,2-3H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-4-methylpyrazole?
1-(2-fluoroethyl)-4-methylpyrazole has a molecular weight of 128.15 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-methylpyrazole is sourced from PubChem (CID 58514736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).