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

C7H10F2N2 — CID 66016327

IUPAC3-(difluoromethyl)-1-propan-2-ylpyrazole
SMILESCC(C)n1ccc(C(F)F)n1
InChIInChI=1S/C7H10F2N2/c1-5(2)11-4-3-6(10-11)7(8)9/h3-5,7H,1-2H3
InChIKeyPENOORGDFOUSNI-UHFFFAOYSA-N
MW160.17 g/mol
LogP2.40
Rot. Bonds2

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

3-(difluoromethyl)-1-propan-2-ylpyrazole (PubChem CID 66016327) has the molecular formula C7H10F2N2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-1-propan-2-ylpyrazole
PubChem CID66016327
Molecular FormulaC7H10F2N2
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name3-(difluoromethyl)-1-propan-2-ylpyrazole
SMILESCC(C)n1ccc(C(F)F)n1
InChIInChI=1S/C7H10F2N2/c1-5(2)11-4-3-6(10-11)7(8)9/h3-5,7H,1-2H3
InChIKeyPENOORGDFOUSNI-UHFFFAOYSA-N
XLogP2.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-propan-2-ylpyrazole?
The IUPAC name of 3-(difluoromethyl)-1-propan-2-ylpyrazole (CID 66016327) is 3-(difluoromethyl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 3-(difluoromethyl)-1-propan-2-ylpyrazole?
The canonical SMILES for 3-(difluoromethyl)-1-propan-2-ylpyrazole is CC(C)n1ccc(C(F)F)n1.
What is the InChIKey of 3-(difluoromethyl)-1-propan-2-ylpyrazole?
The InChIKey is PENOORGDFOUSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2/c1-5(2)11-4-3-6(10-11)7(8)9/h3-5,7H,1-2H3.
What are the key properties of 3-(difluoromethyl)-1-propan-2-ylpyrazole?
3-(difluoromethyl)-1-propan-2-ylpyrazole has a molecular weight of 160.17 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 66016327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).