4-tert-butyl-1-(2,2-difluoroethyl)-3-methoxypyrazole

C10H16F2N2O — CID 177263183

IUPAC4-tert-butyl-1-(2,2-difluoroethyl)-3-methoxypyrazole
SMILESCOc1nn(CC(F)F)cc1C(C)(C)C
InChIInChI=1S/C10H16F2N2O/c1-10(2,3)7-5-14(6-8(11)12)13-9(7)15-4/h5,8H,6H2,1-4H3
InChIKeyJDQDNWMRRYNGMB-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.45
Rot. Bonds3

About 4-tert-butyl-1-(2,2-difluoroethyl)-3-methoxypyrazole

4-tert-butyl-1-(2,2-difluoroethyl)-3-methoxypyrazole (PubChem CID 177263183) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is 4-tert-butyl-1-(2,2-difluoroethyl)-3-methoxypyrazole.

Molecular Properties

Compound Name4-tert-butyl-1-(2,2-difluoroethyl)-3-methoxypyrazole
PubChem CID177263183
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name4-tert-butyl-1-(2,2-difluoroethyl)-3-methoxypyrazole
SMILESCOc1nn(CC(F)F)cc1C(C)(C)C
InChIInChI=1S/C10H16F2N2O/c1-10(2,3)7-5-14(6-8(11)12)13-9(7)15-4/h5,8H,6H2,1-4H3
InChIKeyJDQDNWMRRYNGMB-UHFFFAOYSA-N
XLogP2.45
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(2,2-difluoroethyl)-3-methoxypyrazole?
The IUPAC name of 4-tert-butyl-1-(2,2-difluoroethyl)-3-methoxypyrazole (CID 177263183) is 4-tert-butyl-1-(2,2-difluoroethyl)-3-methoxypyrazole.
What is the SMILES notation for 4-tert-butyl-1-(2,2-difluoroethyl)-3-methoxypyrazole?
The canonical SMILES for 4-tert-butyl-1-(2,2-difluoroethyl)-3-methoxypyrazole is COc1nn(CC(F)F)cc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-1-(2,2-difluoroethyl)-3-methoxypyrazole?
The InChIKey is JDQDNWMRRYNGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c1-10(2,3)7-5-14(6-8(11)12)13-9(7)15-4/h5,8H,6H2,1-4H3.
What are the key properties of 4-tert-butyl-1-(2,2-difluoroethyl)-3-methoxypyrazole?
4-tert-butyl-1-(2,2-difluoroethyl)-3-methoxypyrazole has a molecular weight of 218.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(2,2-difluoroethyl)-3-methoxypyrazole is sourced from PubChem (CID 177263183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).