1-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypyrazole

C13H14F2N2O — CID 141168670

IUPAC1-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypyrazole
SMILESCC(C)Oc1ccn(Cc2ccc(F)cc2F)n1
InChIInChI=1S/C13H14F2N2O/c1-9(2)18-13-5-6-17(16-13)8-10-3-4-11(14)7-12(10)15/h3-7,9H,8H2,1-2H3
InChIKeyRZYMCZDOGTYMGA-UHFFFAOYSA-N
MW252.26 g/mol
LogP3.00
Rot. Bonds4

About 1-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypyrazole

1-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypyrazole (PubChem CID 141168670) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypyrazole.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypyrazole
PubChem CID141168670
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name1-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypyrazole
SMILESCC(C)Oc1ccn(Cc2ccc(F)cc2F)n1
InChIInChI=1S/C13H14F2N2O/c1-9(2)18-13-5-6-17(16-13)8-10-3-4-11(14)7-12(10)15/h3-7,9H,8H2,1-2H3
InChIKeyRZYMCZDOGTYMGA-UHFFFAOYSA-N
XLogP3.00
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypyrazole?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypyrazole (CID 141168670) is 1-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypyrazole.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypyrazole?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypyrazole is CC(C)Oc1ccn(Cc2ccc(F)cc2F)n1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypyrazole?
The InChIKey is RZYMCZDOGTYMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-9(2)18-13-5-6-17(16-13)8-10-3-4-11(14)7-12(10)15/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypyrazole?
1-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypyrazole has a molecular weight of 252.26 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypyrazole is sourced from PubChem (CID 141168670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).