1-(difluoromethyl)-3-methoxy-4-propan-2-ylpyrazole

C8H12F2N2O — CID 168723760

IUPAC1-(difluoromethyl)-3-methoxy-4-propan-2-ylpyrazole
SMILESCOc1nn(C(F)F)cc1C(C)C
InChIInChI=1S/C8H12F2N2O/c1-5(2)6-4-12(8(9)10)11-7(6)13-3/h4-5,8H,1-3H3
InChIKeyHZSKEAMVVHFFMR-UHFFFAOYSA-N
MW190.19 g/mol
LogP2.41
Rot. Bonds3

About 1-(difluoromethyl)-3-methoxy-4-propan-2-ylpyrazole

1-(difluoromethyl)-3-methoxy-4-propan-2-ylpyrazole (PubChem CID 168723760) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-methoxy-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-3-methoxy-4-propan-2-ylpyrazole
PubChem CID168723760
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name1-(difluoromethyl)-3-methoxy-4-propan-2-ylpyrazole
SMILESCOc1nn(C(F)F)cc1C(C)C
InChIInChI=1S/C8H12F2N2O/c1-5(2)6-4-12(8(9)10)11-7(6)13-3/h4-5,8H,1-3H3
InChIKeyHZSKEAMVVHFFMR-UHFFFAOYSA-N
XLogP2.41
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-methoxy-4-propan-2-ylpyrazole?
The IUPAC name of 1-(difluoromethyl)-3-methoxy-4-propan-2-ylpyrazole (CID 168723760) is 1-(difluoromethyl)-3-methoxy-4-propan-2-ylpyrazole.
What is the SMILES notation for 1-(difluoromethyl)-3-methoxy-4-propan-2-ylpyrazole?
The canonical SMILES for 1-(difluoromethyl)-3-methoxy-4-propan-2-ylpyrazole is COc1nn(C(F)F)cc1C(C)C.
What is the InChIKey of 1-(difluoromethyl)-3-methoxy-4-propan-2-ylpyrazole?
The InChIKey is HZSKEAMVVHFFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-5(2)6-4-12(8(9)10)11-7(6)13-3/h4-5,8H,1-3H3.
What are the key properties of 1-(difluoromethyl)-3-methoxy-4-propan-2-ylpyrazole?
1-(difluoromethyl)-3-methoxy-4-propan-2-ylpyrazole has a molecular weight of 190.19 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-methoxy-4-propan-2-ylpyrazole is sourced from PubChem (CID 168723760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).