4-(difluoromethoxy)-1-propan-2-ylpyrazole

C7H10F2N2O — CID 116805445

IUPAC4-(difluoromethoxy)-1-propan-2-ylpyrazole
SMILESCC(C)n1cc(OC(F)F)cn1
InChIInChI=1S/C7H10F2N2O/c1-5(2)11-4-6(3-10-11)12-7(8)9/h3-5,7H,1-2H3
InChIKeySDDLLUWJNOKDDZ-UHFFFAOYSA-N
MW176.17 g/mol
LogP2.07
Rot. Bonds3

About 4-(difluoromethoxy)-1-propan-2-ylpyrazole

4-(difluoromethoxy)-1-propan-2-ylpyrazole (PubChem CID 116805445) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is 4-(difluoromethoxy)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-(difluoromethoxy)-1-propan-2-ylpyrazole
PubChem CID116805445
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name4-(difluoromethoxy)-1-propan-2-ylpyrazole
SMILESCC(C)n1cc(OC(F)F)cn1
InChIInChI=1S/C7H10F2N2O/c1-5(2)11-4-6(3-10-11)12-7(8)9/h3-5,7H,1-2H3
InChIKeySDDLLUWJNOKDDZ-UHFFFAOYSA-N
XLogP2.07
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-1-propan-2-ylpyrazole?
The IUPAC name of 4-(difluoromethoxy)-1-propan-2-ylpyrazole (CID 116805445) is 4-(difluoromethoxy)-1-propan-2-ylpyrazole.
What is the SMILES notation for 4-(difluoromethoxy)-1-propan-2-ylpyrazole?
The canonical SMILES for 4-(difluoromethoxy)-1-propan-2-ylpyrazole is CC(C)n1cc(OC(F)F)cn1.
What is the InChIKey of 4-(difluoromethoxy)-1-propan-2-ylpyrazole?
The InChIKey is SDDLLUWJNOKDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O/c1-5(2)11-4-6(3-10-11)12-7(8)9/h3-5,7H,1-2H3.
What are the key properties of 4-(difluoromethoxy)-1-propan-2-ylpyrazole?
4-(difluoromethoxy)-1-propan-2-ylpyrazole has a molecular weight of 176.17 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-1-propan-2-ylpyrazole is sourced from PubChem (CID 116805445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).