3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole

C8H13FN2O — CID 122170455

IUPAC3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole
SMILESCCOCc1ccn(CCF)n1
InChIInChI=1S/C8H13FN2O/c1-2-12-7-8-3-5-11(10-8)6-4-9/h3,5H,2,4,6-7H2,1H3
InChIKeyBVXIGQQPLHGDGB-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.39
Rot. Bonds5

About 3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole

3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole (PubChem CID 122170455) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is 3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole.

Molecular Properties

Compound Name3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole
PubChem CID122170455
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole
SMILESCCOCc1ccn(CCF)n1
InChIInChI=1S/C8H13FN2O/c1-2-12-7-8-3-5-11(10-8)6-4-9/h3,5H,2,4,6-7H2,1H3
InChIKeyBVXIGQQPLHGDGB-UHFFFAOYSA-N
XLogP1.39
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole?
The IUPAC name of 3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole (CID 122170455) is 3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole.
What is the SMILES notation for 3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole?
The canonical SMILES for 3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole is CCOCc1ccn(CCF)n1.
What is the InChIKey of 3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole?
The InChIKey is BVXIGQQPLHGDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-2-12-7-8-3-5-11(10-8)6-4-9/h3,5H,2,4,6-7H2,1H3.
What are the key properties of 3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole?
3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole has a molecular weight of 172.20 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-1-(2-fluoroethyl)pyrazole is sourced from PubChem (CID 122170455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).