1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazole

C7H9F3N2 — CID 83381935

IUPAC1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazole
SMILESCC(c1ccnn1C)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-5(7(8,9)10)6-3-4-11-12(6)2/h3-5H,1-2H3
InChIKeyUJLWPVLPVMUUDT-UHFFFAOYSA-N
MW178.16 g/mol
LogP2.09
Rot. Bonds1

About 1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazole

1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazole (PubChem CID 83381935) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazole.

Molecular Properties

Compound Name1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazole
PubChem CID83381935
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazole
SMILESCC(c1ccnn1C)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-5(7(8,9)10)6-3-4-11-12(6)2/h3-5H,1-2H3
InChIKeyUJLWPVLPVMUUDT-UHFFFAOYSA-N
XLogP2.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazole?
The IUPAC name of 1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazole (CID 83381935) is 1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazole.
What is the SMILES notation for 1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazole?
The canonical SMILES for 1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazole is CC(c1ccnn1C)C(F)(F)F.
What is the InChIKey of 1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazole?
The InChIKey is UJLWPVLPVMUUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-5(7(8,9)10)6-3-4-11-12(6)2/h3-5H,1-2H3.
What are the key properties of 1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazole?
1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazole has a molecular weight of 178.16 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazole is sourced from PubChem (CID 83381935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).