1-methyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole

C9H12F3N3 — CID 83391956

IUPAC1-methyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1C1CCCN1
InChIInChI=1S/C9H12F3N3/c1-15-7(6-3-2-4-13-6)5-8(14-15)9(10,11)12/h5-6,13H,2-4H2,1H3
InChIKeyCLDVGOMVTSLOPL-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.86
Rot. Bonds1

About 1-methyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole

1-methyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 83391956) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 1-methyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID83391956
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name1-methyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1C1CCCN1
InChIInChI=1S/C9H12F3N3/c1-15-7(6-3-2-4-13-6)5-8(14-15)9(10,11)12/h5-6,13H,2-4H2,1H3
InChIKeyCLDVGOMVTSLOPL-UHFFFAOYSA-N
XLogP1.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-methyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole (CID 83391956) is 1-methyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-methyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-methyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole is Cn1nc(C(F)(F)F)cc1C1CCCN1.
What is the InChIKey of 1-methyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is CLDVGOMVTSLOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-15-7(6-3-2-4-13-6)5-8(14-15)9(10,11)12/h5-6,13H,2-4H2,1H3.
What are the key properties of 1-methyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole?
1-methyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 219.21 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 83391956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).