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

C7H9F3N2 — CID 23006214

IUPAC5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole
SMILESCC(C)c1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C7H9F3N2/c1-4(2)5-3-6(12-11-5)7(8,9)10/h3-4H,1-2H3,(H,11,12)
InChIKeyFPFMPASDBKDTNH-UHFFFAOYSA-N
MW178.16 g/mol
LogP2.55
Rot. Bonds1

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

5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole (PubChem CID 23006214) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole
PubChem CID23006214
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole
SMILESCC(C)c1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C7H9F3N2/c1-4(2)5-3-6(12-11-5)7(8,9)10/h3-4H,1-2H3,(H,11,12)
InChIKeyFPFMPASDBKDTNH-UHFFFAOYSA-N
XLogP2.55
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole (CID 23006214) is 5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole is CC(C)c1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of 5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole?
The InChIKey is FPFMPASDBKDTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-4(2)5-3-6(12-11-5)7(8,9)10/h3-4H,1-2H3,(H,11,12).
What are the key properties of 5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole?
5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole has a molecular weight of 178.16 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 23006214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).