5-(difluoromethyl)-3-propan-2-yl-1H-pyrazole

C7H10F2N2 — CID 23006215

IUPAC5-(difluoromethyl)-3-propan-2-yl-1H-pyrazole
SMILESCC(C)c1cc(C(F)F)[nH]n1
InChIInChI=1S/C7H10F2N2/c1-4(2)5-3-6(7(8)9)11-10-5/h3-4,7H,1-2H3,(H,10,11)
InChIKeyCLUFHMOFLAUBFE-UHFFFAOYSA-N
MW160.17 g/mol
LogP2.47
Rot. Bonds2

About 5-(difluoromethyl)-3-propan-2-yl-1H-pyrazole

5-(difluoromethyl)-3-propan-2-yl-1H-pyrazole (PubChem CID 23006215) has the molecular formula C7H10F2N2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound Name5-(difluoromethyl)-3-propan-2-yl-1H-pyrazole
PubChem CID23006215
Molecular FormulaC7H10F2N2
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name5-(difluoromethyl)-3-propan-2-yl-1H-pyrazole
SMILESCC(C)c1cc(C(F)F)[nH]n1
InChIInChI=1S/C7H10F2N2/c1-4(2)5-3-6(7(8)9)11-10-5/h3-4,7H,1-2H3,(H,10,11)
InChIKeyCLUFHMOFLAUBFE-UHFFFAOYSA-N
XLogP2.47
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-propan-2-yl-1H-pyrazole?
The IUPAC name of 5-(difluoromethyl)-3-propan-2-yl-1H-pyrazole (CID 23006215) is 5-(difluoromethyl)-3-propan-2-yl-1H-pyrazole.
What is the SMILES notation for 5-(difluoromethyl)-3-propan-2-yl-1H-pyrazole?
The canonical SMILES for 5-(difluoromethyl)-3-propan-2-yl-1H-pyrazole is CC(C)c1cc(C(F)F)[nH]n1.
What is the InChIKey of 5-(difluoromethyl)-3-propan-2-yl-1H-pyrazole?
The InChIKey is CLUFHMOFLAUBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2/c1-4(2)5-3-6(7(8)9)11-10-5/h3-4,7H,1-2H3,(H,10,11).
What are the key properties of 5-(difluoromethyl)-3-propan-2-yl-1H-pyrazole?
5-(difluoromethyl)-3-propan-2-yl-1H-pyrazole has a molecular weight of 160.17 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 23006215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).