5-(difluoromethoxy)-4-methyl-1-propylpyrazole

C8H12F2N2O — CID 141420745

IUPAC5-(difluoromethoxy)-4-methyl-1-propylpyrazole
SMILESCCCn1ncc(C)c1OC(F)F
InChIInChI=1S/C8H12F2N2O/c1-3-4-12-7(13-8(9)10)6(2)5-11-12/h5,8H,3-4H2,1-2H3
InChIKeyVSEYGRBTXLVHAA-UHFFFAOYSA-N
MW190.19 g/mol
LogP2.20
Rot. Bonds4

About 5-(difluoromethoxy)-4-methyl-1-propylpyrazole

5-(difluoromethoxy)-4-methyl-1-propylpyrazole (PubChem CID 141420745) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 5-(difluoromethoxy)-4-methyl-1-propylpyrazole.

Molecular Properties

Compound Name5-(difluoromethoxy)-4-methyl-1-propylpyrazole
PubChem CID141420745
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name5-(difluoromethoxy)-4-methyl-1-propylpyrazole
SMILESCCCn1ncc(C)c1OC(F)F
InChIInChI=1S/C8H12F2N2O/c1-3-4-12-7(13-8(9)10)6(2)5-11-12/h5,8H,3-4H2,1-2H3
InChIKeyVSEYGRBTXLVHAA-UHFFFAOYSA-N
XLogP2.20
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-4-methyl-1-propylpyrazole?
The IUPAC name of 5-(difluoromethoxy)-4-methyl-1-propylpyrazole (CID 141420745) is 5-(difluoromethoxy)-4-methyl-1-propylpyrazole.
What is the SMILES notation for 5-(difluoromethoxy)-4-methyl-1-propylpyrazole?
The canonical SMILES for 5-(difluoromethoxy)-4-methyl-1-propylpyrazole is CCCn1ncc(C)c1OC(F)F.
What is the InChIKey of 5-(difluoromethoxy)-4-methyl-1-propylpyrazole?
The InChIKey is VSEYGRBTXLVHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-3-4-12-7(13-8(9)10)6(2)5-11-12/h5,8H,3-4H2,1-2H3.
What are the key properties of 5-(difluoromethoxy)-4-methyl-1-propylpyrazole?
5-(difluoromethoxy)-4-methyl-1-propylpyrazole has a molecular weight of 190.19 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-4-methyl-1-propylpyrazole is sourced from PubChem (CID 141420745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).