1-cyclobutyl-3-(difluoromethoxy)-4-propan-2-ylpyrazole

C11H16F2N2O — CID 170175326

IUPAC1-cyclobutyl-3-(difluoromethoxy)-4-propan-2-ylpyrazole
SMILESCC(C)c1cn(C2CCC2)nc1OC(F)F
InChIInChI=1S/C11H16F2N2O/c1-7(2)9-6-15(8-4-3-5-8)14-10(9)16-11(12)13/h6-8,11H,3-5H2,1-2H3
InChIKeyOXKYALXIRCBDKD-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.33
Rot. Bonds4

About 1-cyclobutyl-3-(difluoromethoxy)-4-propan-2-ylpyrazole

1-cyclobutyl-3-(difluoromethoxy)-4-propan-2-ylpyrazole (PubChem CID 170175326) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-cyclobutyl-3-(difluoromethoxy)-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-cyclobutyl-3-(difluoromethoxy)-4-propan-2-ylpyrazole
PubChem CID170175326
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name1-cyclobutyl-3-(difluoromethoxy)-4-propan-2-ylpyrazole
SMILESCC(C)c1cn(C2CCC2)nc1OC(F)F
InChIInChI=1S/C11H16F2N2O/c1-7(2)9-6-15(8-4-3-5-8)14-10(9)16-11(12)13/h6-8,11H,3-5H2,1-2H3
InChIKeyOXKYALXIRCBDKD-UHFFFAOYSA-N
XLogP3.33
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(difluoromethoxy)-4-propan-2-ylpyrazole?
The IUPAC name of 1-cyclobutyl-3-(difluoromethoxy)-4-propan-2-ylpyrazole (CID 170175326) is 1-cyclobutyl-3-(difluoromethoxy)-4-propan-2-ylpyrazole.
What is the SMILES notation for 1-cyclobutyl-3-(difluoromethoxy)-4-propan-2-ylpyrazole?
The canonical SMILES for 1-cyclobutyl-3-(difluoromethoxy)-4-propan-2-ylpyrazole is CC(C)c1cn(C2CCC2)nc1OC(F)F.
What is the InChIKey of 1-cyclobutyl-3-(difluoromethoxy)-4-propan-2-ylpyrazole?
The InChIKey is OXKYALXIRCBDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-7(2)9-6-15(8-4-3-5-8)14-10(9)16-11(12)13/h6-8,11H,3-5H2,1-2H3.
What are the key properties of 1-cyclobutyl-3-(difluoromethoxy)-4-propan-2-ylpyrazole?
1-cyclobutyl-3-(difluoromethoxy)-4-propan-2-ylpyrazole has a molecular weight of 230.26 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(difluoromethoxy)-4-propan-2-ylpyrazole is sourced from PubChem (CID 170175326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).