1-[4-(1,1-difluoroethoxy)phenyl]-5-methyl-3-propan-2-yloxypyrazole

C15H18F2N2O2 — CID 176921672

IUPAC1-[4-(1,1-difluoroethoxy)phenyl]-5-methyl-3-propan-2-yloxypyrazole
SMILESCc1cc(OC(C)C)nn1-c1ccc(OC(C)(F)F)cc1
InChIInChI=1S/C15H18F2N2O2/c1-10(2)20-14-9-11(3)19(18-14)12-5-7-13(8-6-12)21-15(4,16)17/h5-10H,1-4H3
InChIKeySYZJIKAQPGOFPU-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.96
Rot. Bonds5

About 1-[4-(1,1-difluoroethoxy)phenyl]-5-methyl-3-propan-2-yloxypyrazole

1-[4-(1,1-difluoroethoxy)phenyl]-5-methyl-3-propan-2-yloxypyrazole (PubChem CID 176921672) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-[4-(1,1-difluoroethoxy)phenyl]-5-methyl-3-propan-2-yloxypyrazole.

Molecular Properties

Compound Name1-[4-(1,1-difluoroethoxy)phenyl]-5-methyl-3-propan-2-yloxypyrazole
PubChem CID176921672
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name1-[4-(1,1-difluoroethoxy)phenyl]-5-methyl-3-propan-2-yloxypyrazole
SMILESCc1cc(OC(C)C)nn1-c1ccc(OC(C)(F)F)cc1
InChIInChI=1S/C15H18F2N2O2/c1-10(2)20-14-9-11(3)19(18-14)12-5-7-13(8-6-12)21-15(4,16)17/h5-10H,1-4H3
InChIKeySYZJIKAQPGOFPU-UHFFFAOYSA-N
XLogP3.96
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-difluoroethoxy)phenyl]-5-methyl-3-propan-2-yloxypyrazole?
The IUPAC name of 1-[4-(1,1-difluoroethoxy)phenyl]-5-methyl-3-propan-2-yloxypyrazole (CID 176921672) is 1-[4-(1,1-difluoroethoxy)phenyl]-5-methyl-3-propan-2-yloxypyrazole.
What is the SMILES notation for 1-[4-(1,1-difluoroethoxy)phenyl]-5-methyl-3-propan-2-yloxypyrazole?
The canonical SMILES for 1-[4-(1,1-difluoroethoxy)phenyl]-5-methyl-3-propan-2-yloxypyrazole is Cc1cc(OC(C)C)nn1-c1ccc(OC(C)(F)F)cc1.
What is the InChIKey of 1-[4-(1,1-difluoroethoxy)phenyl]-5-methyl-3-propan-2-yloxypyrazole?
The InChIKey is SYZJIKAQPGOFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-10(2)20-14-9-11(3)19(18-14)12-5-7-13(8-6-12)21-15(4,16)17/h5-10H,1-4H3.
What are the key properties of 1-[4-(1,1-difluoroethoxy)phenyl]-5-methyl-3-propan-2-yloxypyrazole?
1-[4-(1,1-difluoroethoxy)phenyl]-5-methyl-3-propan-2-yloxypyrazole has a molecular weight of 296.32 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-difluoroethoxy)phenyl]-5-methyl-3-propan-2-yloxypyrazole is sourced from PubChem (CID 176921672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).