1-(2-fluoroethyl)-3-(propan-2-yloxymethyl)pyrazole

C9H15FN2O — CID 122170480

IUPAC1-(2-fluoroethyl)-3-(propan-2-yloxymethyl)pyrazole
SMILESCC(C)OCc1ccn(CCF)n1
InChIInChI=1S/C9H15FN2O/c1-8(2)13-7-9-3-5-12(11-9)6-4-10/h3,5,8H,4,6-7H2,1-2H3
InChIKeyHDJNLYMRYXWFJH-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.78
Rot. Bonds5

About 1-(2-fluoroethyl)-3-(propan-2-yloxymethyl)pyrazole

1-(2-fluoroethyl)-3-(propan-2-yloxymethyl)pyrazole (PubChem CID 122170480) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(propan-2-yloxymethyl)pyrazole.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(propan-2-yloxymethyl)pyrazole
PubChem CID122170480
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name1-(2-fluoroethyl)-3-(propan-2-yloxymethyl)pyrazole
SMILESCC(C)OCc1ccn(CCF)n1
InChIInChI=1S/C9H15FN2O/c1-8(2)13-7-9-3-5-12(11-9)6-4-10/h3,5,8H,4,6-7H2,1-2H3
InChIKeyHDJNLYMRYXWFJH-UHFFFAOYSA-N
XLogP1.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-fluoroethyl)-3-(propan-2-yloxymethyl)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-(propan-2-yloxymethyl)pyrazole?
The IUPAC name of 1-(2-fluoroethyl)-3-(propan-2-yloxymethyl)pyrazole (CID 122170480) is 1-(2-fluoroethyl)-3-(propan-2-yloxymethyl)pyrazole.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(propan-2-yloxymethyl)pyrazole?
The canonical SMILES for 1-(2-fluoroethyl)-3-(propan-2-yloxymethyl)pyrazole is CC(C)OCc1ccn(CCF)n1.
What is the InChIKey of 1-(2-fluoroethyl)-3-(propan-2-yloxymethyl)pyrazole?
The InChIKey is HDJNLYMRYXWFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-8(2)13-7-9-3-5-12(11-9)6-4-10/h3,5,8H,4,6-7H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-3-(propan-2-yloxymethyl)pyrazole?
1-(2-fluoroethyl)-3-(propan-2-yloxymethyl)pyrazole has a molecular weight of 186.23 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-(propan-2-yloxymethyl)pyrazole is sourced from PubChem (CID 122170480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).