4-(2,2-difluoroethyl)-5-propan-2-yl-1H-pyrazole

C8H12F2N2 — CID 174760227

IUPAC4-(2,2-difluoroethyl)-5-propan-2-yl-1H-pyrazole
SMILESCC(C)c1[nH]ncc1CC(F)F
InChIInChI=1S/C8H12F2N2/c1-5(2)8-6(3-7(9)10)4-11-12-8/h4-5,7H,3H2,1-2H3,(H,11,12)
InChIKeyUNIWLTKNNXPFJM-UHFFFAOYSA-N
MW174.19 g/mol
LogP2.34
Rot. Bonds3

About 4-(2,2-difluoroethyl)-5-propan-2-yl-1H-pyrazole

4-(2,2-difluoroethyl)-5-propan-2-yl-1H-pyrazole (PubChem CID 174760227) has the molecular formula C8H12F2N2 and a molecular weight of 174.19 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-5-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-5-propan-2-yl-1H-pyrazole
PubChem CID174760227
Molecular FormulaC8H12F2N2
Molecular Weight174.19 g/mol
Exact Mass174.10
IUPAC Name4-(2,2-difluoroethyl)-5-propan-2-yl-1H-pyrazole
SMILESCC(C)c1[nH]ncc1CC(F)F
InChIInChI=1S/C8H12F2N2/c1-5(2)8-6(3-7(9)10)4-11-12-8/h4-5,7H,3H2,1-2H3,(H,11,12)
InChIKeyUNIWLTKNNXPFJM-UHFFFAOYSA-N
XLogP2.34
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-5-propan-2-yl-1H-pyrazole?
The IUPAC name of 4-(2,2-difluoroethyl)-5-propan-2-yl-1H-pyrazole (CID 174760227) is 4-(2,2-difluoroethyl)-5-propan-2-yl-1H-pyrazole.
What is the SMILES notation for 4-(2,2-difluoroethyl)-5-propan-2-yl-1H-pyrazole?
The canonical SMILES for 4-(2,2-difluoroethyl)-5-propan-2-yl-1H-pyrazole is CC(C)c1[nH]ncc1CC(F)F.
What is the InChIKey of 4-(2,2-difluoroethyl)-5-propan-2-yl-1H-pyrazole?
The InChIKey is UNIWLTKNNXPFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2/c1-5(2)8-6(3-7(9)10)4-11-12-8/h4-5,7H,3H2,1-2H3,(H,11,12).
What are the key properties of 4-(2,2-difluoroethyl)-5-propan-2-yl-1H-pyrazole?
4-(2,2-difluoroethyl)-5-propan-2-yl-1H-pyrazole has a molecular weight of 174.19 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-5-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 174760227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).