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

C7H11FN2O — CID 122170446

IUPAC1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole
SMILESCOCc1ccn(CCF)n1
InChIInChI=1S/C7H11FN2O/c1-11-6-7-2-4-10(9-7)5-3-8/h2,4H,3,5-6H2,1H3
InChIKeyBITGWHZGSKWLJN-UHFFFAOYSA-N
MW158.18 g/mol
LogP1.00
Rot. Bonds4

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

1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole (PubChem CID 122170446) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole
PubChem CID122170446
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole
SMILESCOCc1ccn(CCF)n1
InChIInChI=1S/C7H11FN2O/c1-11-6-7-2-4-10(9-7)5-3-8/h2,4H,3,5-6H2,1H3
InChIKeyBITGWHZGSKWLJN-UHFFFAOYSA-N
XLogP1.00
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole?
The IUPAC name of 1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole (CID 122170446) is 1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole?
The canonical SMILES for 1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole is COCc1ccn(CCF)n1.
What is the InChIKey of 1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole?
The InChIKey is BITGWHZGSKWLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O/c1-11-6-7-2-4-10(9-7)5-3-8/h2,4H,3,5-6H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole?
1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole has a molecular weight of 158.18 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-(methoxymethyl)pyrazole is sourced from PubChem (CID 122170446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).