5-(difluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole

C8H12F2N2O — CID 166473857

IUPAC5-(difluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole
SMILESCOCCn1ncc(C)c1C(F)F
InChIInChI=1S/C8H12F2N2O/c1-6-5-11-12(3-4-13-2)7(6)8(9)10/h5,8H,3-4H2,1-2H3
InChIKeyWIRLAAXILFKZDP-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.78
Rot. Bonds4

About 5-(difluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole

5-(difluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole (PubChem CID 166473857) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole.

Molecular Properties

Compound Name5-(difluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole
PubChem CID166473857
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name5-(difluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole
SMILESCOCCn1ncc(C)c1C(F)F
InChIInChI=1S/C8H12F2N2O/c1-6-5-11-12(3-4-13-2)7(6)8(9)10/h5,8H,3-4H2,1-2H3
InChIKeyWIRLAAXILFKZDP-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole?
The IUPAC name of 5-(difluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole (CID 166473857) is 5-(difluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole.
What is the SMILES notation for 5-(difluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole?
The canonical SMILES for 5-(difluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole is COCCn1ncc(C)c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole?
The InChIKey is WIRLAAXILFKZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-6-5-11-12(3-4-13-2)7(6)8(9)10/h5,8H,3-4H2,1-2H3.
What are the key properties of 5-(difluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole?
5-(difluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole has a molecular weight of 190.19 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1-(2-methoxyethyl)-4-methylpyrazole is sourced from PubChem (CID 166473857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).