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

C7H11FN2 — CID 59340900

IUPAC3-(1-fluoroethyl)-1,4-dimethylpyrazole
SMILESCc1cn(C)nc1C(C)F
InChIInChI=1S/C7H11FN2/c1-5-4-10(3)9-7(5)6(2)8/h4,6H,1-3H3
InChIKeyUEDNDMIHGBABBZ-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.76
Rot. Bonds1

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

3-(1-fluoroethyl)-1,4-dimethylpyrazole (PubChem CID 59340900) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 3-(1-fluoroethyl)-1,4-dimethylpyrazole.

Molecular Properties

Compound Name3-(1-fluoroethyl)-1,4-dimethylpyrazole
PubChem CID59340900
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name3-(1-fluoroethyl)-1,4-dimethylpyrazole
SMILESCc1cn(C)nc1C(C)F
InChIInChI=1S/C7H11FN2/c1-5-4-10(3)9-7(5)6(2)8/h4,6H,1-3H3
InChIKeyUEDNDMIHGBABBZ-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroethyl)-1,4-dimethylpyrazole?
The IUPAC name of 3-(1-fluoroethyl)-1,4-dimethylpyrazole (CID 59340900) is 3-(1-fluoroethyl)-1,4-dimethylpyrazole.
What is the SMILES notation for 3-(1-fluoroethyl)-1,4-dimethylpyrazole?
The canonical SMILES for 3-(1-fluoroethyl)-1,4-dimethylpyrazole is Cc1cn(C)nc1C(C)F.
What is the InChIKey of 3-(1-fluoroethyl)-1,4-dimethylpyrazole?
The InChIKey is UEDNDMIHGBABBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2/c1-5-4-10(3)9-7(5)6(2)8/h4,6H,1-3H3.
What are the key properties of 3-(1-fluoroethyl)-1,4-dimethylpyrazole?
3-(1-fluoroethyl)-1,4-dimethylpyrazole has a molecular weight of 142.18 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethyl)-1,4-dimethylpyrazole is sourced from PubChem (CID 59340900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).