4-(2,4-difluorophenoxy)-3-methoxy-1,5-dimethylpyrazole

C12H12F2N2O2 — CID 137424231

IUPAC4-(2,4-difluorophenoxy)-3-methoxy-1,5-dimethylpyrazole
SMILESCOc1nn(C)c(C)c1Oc1ccc(F)cc1F
InChIInChI=1S/C12H12F2N2O2/c1-7-11(12(17-3)15-16(7)2)18-10-5-4-8(13)6-9(10)14/h4-6H,1-3H3
InChIKeySRAZNXROLNRZTB-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.81
Rot. Bonds3

About 4-(2,4-difluorophenoxy)-3-methoxy-1,5-dimethylpyrazole

4-(2,4-difluorophenoxy)-3-methoxy-1,5-dimethylpyrazole (PubChem CID 137424231) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-3-methoxy-1,5-dimethylpyrazole.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-3-methoxy-1,5-dimethylpyrazole
PubChem CID137424231
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name4-(2,4-difluorophenoxy)-3-methoxy-1,5-dimethylpyrazole
SMILESCOc1nn(C)c(C)c1Oc1ccc(F)cc1F
InChIInChI=1S/C12H12F2N2O2/c1-7-11(12(17-3)15-16(7)2)18-10-5-4-8(13)6-9(10)14/h4-6H,1-3H3
InChIKeySRAZNXROLNRZTB-UHFFFAOYSA-N
XLogP2.81
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-3-methoxy-1,5-dimethylpyrazole?
The IUPAC name of 4-(2,4-difluorophenoxy)-3-methoxy-1,5-dimethylpyrazole (CID 137424231) is 4-(2,4-difluorophenoxy)-3-methoxy-1,5-dimethylpyrazole.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-3-methoxy-1,5-dimethylpyrazole?
The canonical SMILES for 4-(2,4-difluorophenoxy)-3-methoxy-1,5-dimethylpyrazole is COc1nn(C)c(C)c1Oc1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenoxy)-3-methoxy-1,5-dimethylpyrazole?
The InChIKey is SRAZNXROLNRZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c1-7-11(12(17-3)15-16(7)2)18-10-5-4-8(13)6-9(10)14/h4-6H,1-3H3.
What are the key properties of 4-(2,4-difluorophenoxy)-3-methoxy-1,5-dimethylpyrazole?
4-(2,4-difluorophenoxy)-3-methoxy-1,5-dimethylpyrazole has a molecular weight of 254.24 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-3-methoxy-1,5-dimethylpyrazole is sourced from PubChem (CID 137424231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).