5-tert-butyl-4-(difluoromethoxy)-1-propan-2-ylpyrazole

C11H18F2N2O — CID 168841686

IUPAC5-tert-butyl-4-(difluoromethoxy)-1-propan-2-ylpyrazole
SMILESCC(C)n1ncc(OC(F)F)c1C(C)(C)C
InChIInChI=1S/C11H18F2N2O/c1-7(2)15-9(11(3,4)5)8(6-14-15)16-10(12)13/h6-7,10H,1-5H3
InChIKeyKFQAPJVLVCAPNB-UHFFFAOYSA-N
MW232.27 g/mol
LogP3.36
Rot. Bonds3

About 5-tert-butyl-4-(difluoromethoxy)-1-propan-2-ylpyrazole

5-tert-butyl-4-(difluoromethoxy)-1-propan-2-ylpyrazole (PubChem CID 168841686) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is 5-tert-butyl-4-(difluoromethoxy)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name5-tert-butyl-4-(difluoromethoxy)-1-propan-2-ylpyrazole
PubChem CID168841686
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC Name5-tert-butyl-4-(difluoromethoxy)-1-propan-2-ylpyrazole
SMILESCC(C)n1ncc(OC(F)F)c1C(C)(C)C
InChIInChI=1S/C11H18F2N2O/c1-7(2)15-9(11(3,4)5)8(6-14-15)16-10(12)13/h6-7,10H,1-5H3
InChIKeyKFQAPJVLVCAPNB-UHFFFAOYSA-N
XLogP3.36
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethoxy)-1,5-di(propan-2-yl)pyrazole
CID 162378326
5-tert-butyl-1-propan-2-ylpyrazol-4-amine
CID 105439735
2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-2-ol
CID 114637495
2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-2-ol
CID 114637115
1-cyclopropyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol
CID 114633612
5-(difluoromethoxy)-1-(difluoromethyl)-4-iodopyrazole
CID 171842535
2-(4-methyl-1-propan-2-ylpyrazol-5-yl)propan-2-ol
CID 115016266
2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentan-2-ol
CID 114633735
3-hydroxy-3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butanal
CID 114636600
4-[1-hydroxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]phenol
CID 114637997
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-1-(4-methylphenyl)ethanol
CID 114633338
4-methoxy-5-methyl-1-propan-2-ylpyrazole
CID 149332345

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-(difluoromethoxy)-1-propan-2-ylpyrazole?
The IUPAC name of 5-tert-butyl-4-(difluoromethoxy)-1-propan-2-ylpyrazole (CID 168841686) is 5-tert-butyl-4-(difluoromethoxy)-1-propan-2-ylpyrazole.
What is the SMILES notation for 5-tert-butyl-4-(difluoromethoxy)-1-propan-2-ylpyrazole?
The canonical SMILES for 5-tert-butyl-4-(difluoromethoxy)-1-propan-2-ylpyrazole is CC(C)n1ncc(OC(F)F)c1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-(difluoromethoxy)-1-propan-2-ylpyrazole?
The InChIKey is KFQAPJVLVCAPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O/c1-7(2)15-9(11(3,4)5)8(6-14-15)16-10(12)13/h6-7,10H,1-5H3.
What are the key properties of 5-tert-butyl-4-(difluoromethoxy)-1-propan-2-ylpyrazole?
5-tert-butyl-4-(difluoromethoxy)-1-propan-2-ylpyrazole has a molecular weight of 232.27 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-(difluoromethoxy)-1-propan-2-ylpyrazole is sourced from PubChem (CID 168841686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).