1-(2,2-difluoroethyl)-4-propan-2-ylpyrazole

C8H12F2N2 — CID 59333381

IUPAC1-(2,2-difluoroethyl)-4-propan-2-ylpyrazole
SMILESCC(C)c1cnn(CC(F)F)c1
InChIInChI=1S/C8H12F2N2/c1-6(2)7-3-11-12(4-7)5-8(9)10/h3-4,6,8H,5H2,1-2H3
InChIKeyKLLOGIVCBORPRP-UHFFFAOYSA-N
MW174.19 g/mol
LogP2.27
Rot. Bonds3

About 1-(2,2-difluoroethyl)-4-propan-2-ylpyrazole

1-(2,2-difluoroethyl)-4-propan-2-ylpyrazole (PubChem CID 59333381) has the molecular formula C8H12F2N2 and a molecular weight of 174.19 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-propan-2-ylpyrazole
PubChem CID59333381
Molecular FormulaC8H12F2N2
Molecular Weight174.19 g/mol
Exact Mass174.10
IUPAC Name1-(2,2-difluoroethyl)-4-propan-2-ylpyrazole
SMILESCC(C)c1cnn(CC(F)F)c1
InChIInChI=1S/C8H12F2N2/c1-6(2)7-3-11-12(4-7)5-8(9)10/h3-4,6,8H,5H2,1-2H3
InChIKeyKLLOGIVCBORPRP-UHFFFAOYSA-N
XLogP2.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-propan-2-ylpyrazole?
The IUPAC name of 1-(2,2-difluoroethyl)-4-propan-2-ylpyrazole (CID 59333381) is 1-(2,2-difluoroethyl)-4-propan-2-ylpyrazole.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-propan-2-ylpyrazole?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-propan-2-ylpyrazole is CC(C)c1cnn(CC(F)F)c1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-propan-2-ylpyrazole?
The InChIKey is KLLOGIVCBORPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2/c1-6(2)7-3-11-12(4-7)5-8(9)10/h3-4,6,8H,5H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-propan-2-ylpyrazole?
1-(2,2-difluoroethyl)-4-propan-2-ylpyrazole has a molecular weight of 174.19 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-propan-2-ylpyrazole is sourced from PubChem (CID 59333381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).