3-propan-2-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazole

C8H11F3N2 — CID 20664540

IUPAC3-propan-2-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazole
SMILESCC(C)c1cc(CC(F)(F)F)[nH]n1
InChIInChI=1S/C8H11F3N2/c1-5(2)7-3-6(12-13-7)4-8(9,10)11/h3,5H,4H2,1-2H3,(H,12,13)
InChIKeyGUWARYZTSRRDCJ-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.64
Rot. Bonds2

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

3-propan-2-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazole (PubChem CID 20664540) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 3-propan-2-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-propan-2-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazole
PubChem CID20664540
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name3-propan-2-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazole
SMILESCC(C)c1cc(CC(F)(F)F)[nH]n1
InChIInChI=1S/C8H11F3N2/c1-5(2)7-3-6(12-13-7)4-8(9,10)11/h3,5H,4H2,1-2H3,(H,12,13)
InChIKeyGUWARYZTSRRDCJ-UHFFFAOYSA-N
XLogP2.64
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazole?
The IUPAC name of 3-propan-2-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazole (CID 20664540) is 3-propan-2-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazole.
What is the SMILES notation for 3-propan-2-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazole?
The canonical SMILES for 3-propan-2-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazole is CC(C)c1cc(CC(F)(F)F)[nH]n1.
What is the InChIKey of 3-propan-2-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazole?
The InChIKey is GUWARYZTSRRDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-5(2)7-3-6(12-13-7)4-8(9,10)11/h3,5H,4H2,1-2H3,(H,12,13).
What are the key properties of 3-propan-2-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazole?
3-propan-2-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazole has a molecular weight of 192.18 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazole is sourced from PubChem (CID 20664540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).