1-tert-butyl-3-fluoro-4,5-dimethoxypyrazole

C9H15FN2O2 — CID 146377153

IUPAC1-tert-butyl-3-fluoro-4,5-dimethoxypyrazole
SMILESCOc1c(F)nn(C(C)(C)C)c1OC
InChIInChI=1S/C9H15FN2O2/c1-9(2,3)12-8(14-5)6(13-4)7(10)11-12/h1-5H3
InChIKeyFKGKPGUAZDTFKC-UHFFFAOYSA-N
MW202.23 g/mol
LogP1.79
Rot. Bonds2

About 1-tert-butyl-3-fluoro-4,5-dimethoxypyrazole

1-tert-butyl-3-fluoro-4,5-dimethoxypyrazole (PubChem CID 146377153) has the molecular formula C9H15FN2O2 and a molecular weight of 202.23 g/mol. Its IUPAC name is 1-tert-butyl-3-fluoro-4,5-dimethoxypyrazole.

Molecular Properties

Compound Name1-tert-butyl-3-fluoro-4,5-dimethoxypyrazole
PubChem CID146377153
Molecular FormulaC9H15FN2O2
Molecular Weight202.23 g/mol
Exact Mass202.11
IUPAC Name1-tert-butyl-3-fluoro-4,5-dimethoxypyrazole
SMILESCOc1c(F)nn(C(C)(C)C)c1OC
InChIInChI=1S/C9H15FN2O2/c1-9(2,3)12-8(14-5)6(13-4)7(10)11-12/h1-5H3
InChIKeyFKGKPGUAZDTFKC-UHFFFAOYSA-N
XLogP1.79
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-3-fluoro-4,5-dimethoxypyrazole 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-tert-butyl-3-fluoro-4,5-dimethoxypyrazole?
The IUPAC name of 1-tert-butyl-3-fluoro-4,5-dimethoxypyrazole (CID 146377153) is 1-tert-butyl-3-fluoro-4,5-dimethoxypyrazole.
What is the SMILES notation for 1-tert-butyl-3-fluoro-4,5-dimethoxypyrazole?
The canonical SMILES for 1-tert-butyl-3-fluoro-4,5-dimethoxypyrazole is COc1c(F)nn(C(C)(C)C)c1OC.
What is the InChIKey of 1-tert-butyl-3-fluoro-4,5-dimethoxypyrazole?
The InChIKey is FKGKPGUAZDTFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O2/c1-9(2,3)12-8(14-5)6(13-4)7(10)11-12/h1-5H3.
What are the key properties of 1-tert-butyl-3-fluoro-4,5-dimethoxypyrazole?
1-tert-butyl-3-fluoro-4,5-dimethoxypyrazole has a molecular weight of 202.23 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-fluoro-4,5-dimethoxypyrazole is sourced from PubChem (CID 146377153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).