4,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole

C11H16F3N3 — CID 122633531

IUPAC4,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole
SMILESCc1c(C(F)(F)F)nn(C2CCN(C)C2)c1C
InChIInChI=1S/C11H16F3N3/c1-7-8(2)17(9-4-5-16(3)6-9)15-10(7)11(12,13)14/h9H,4-6H2,1-3H3
InChIKeyVDAZRMSMNARADK-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.40
Rot. Bonds1

About 4,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole

4,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole (PubChem CID 122633531) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 4,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole
PubChem CID122633531
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name4,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole
SMILESCc1c(C(F)(F)F)nn(C2CCN(C)C2)c1C
InChIInChI=1S/C11H16F3N3/c1-7-8(2)17(9-4-5-16(3)6-9)15-10(7)11(12,13)14/h9H,4-6H2,1-3H3
InChIKeyVDAZRMSMNARADK-UHFFFAOYSA-N
XLogP2.40
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole (CID 122633531) is 4,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole is Cc1c(C(F)(F)F)nn(C2CCN(C)C2)c1C.
What is the InChIKey of 4,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole?
The InChIKey is VDAZRMSMNARADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-7-8(2)17(9-4-5-16(3)6-9)15-10(7)11(12,13)14/h9H,4-6H2,1-3H3.
What are the key properties of 4,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole?
4,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole has a molecular weight of 247.26 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 122633531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).