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

C11H16F3N3 — CID 110249230

IUPAC5-(1-propan-2-ylpyrrolidin-2-yl)-3-(trifluoromethyl)-1H-pyrazole
SMILESCC(C)N1CCCC1c1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C11H16F3N3/c1-7(2)17-5-3-4-9(17)8-6-10(16-15-8)11(12,13)14/h6-7,9H,3-5H2,1-2H3,(H,15,16)
InChIKeyNNCPJGLPDHUVIL-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.97
Rot. Bonds2

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

5-(1-propan-2-ylpyrrolidin-2-yl)-3-(trifluoromethyl)-1H-pyrazole (PubChem CID 110249230) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 5-(1-propan-2-ylpyrrolidin-2-yl)-3-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(1-propan-2-ylpyrrolidin-2-yl)-3-(trifluoromethyl)-1H-pyrazole
PubChem CID110249230
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name5-(1-propan-2-ylpyrrolidin-2-yl)-3-(trifluoromethyl)-1H-pyrazole
SMILESCC(C)N1CCCC1c1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C11H16F3N3/c1-7(2)17-5-3-4-9(17)8-6-10(16-15-8)11(12,13)14/h6-7,9H,3-5H2,1-2H3,(H,15,16)
InChIKeyNNCPJGLPDHUVIL-UHFFFAOYSA-N
XLogP2.97
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-propan-2-ylpyrrolidin-2-yl)-3-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 5-(1-propan-2-ylpyrrolidin-2-yl)-3-(trifluoromethyl)-1H-pyrazole (CID 110249230) is 5-(1-propan-2-ylpyrrolidin-2-yl)-3-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-(1-propan-2-ylpyrrolidin-2-yl)-3-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-(1-propan-2-ylpyrrolidin-2-yl)-3-(trifluoromethyl)-1H-pyrazole is CC(C)N1CCCC1c1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of 5-(1-propan-2-ylpyrrolidin-2-yl)-3-(trifluoromethyl)-1H-pyrazole?
The InChIKey is NNCPJGLPDHUVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-7(2)17-5-3-4-9(17)8-6-10(16-15-8)11(12,13)14/h6-7,9H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 5-(1-propan-2-ylpyrrolidin-2-yl)-3-(trifluoromethyl)-1H-pyrazole?
5-(1-propan-2-ylpyrrolidin-2-yl)-3-(trifluoromethyl)-1H-pyrazole has a molecular weight of 247.26 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-propan-2-ylpyrrolidin-2-yl)-3-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 110249230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).