1-(1-methylpyrrolidin-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole

C12H18F3N3 — CID 134331653

IUPAC1-(1-methylpyrrolidin-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)c1cc(C(F)(F)F)nn1C1CCN(C)C1
InChIInChI=1S/C12H18F3N3/c1-8(2)10-6-11(12(13,14)15)16-18(10)9-4-5-17(3)7-9/h6,8-9H,4-5,7H2,1-3H3
InChIKeyYYLKCPUQYZXFNS-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.90
Rot. Bonds2

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

1-(1-methylpyrrolidin-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 134331653) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID134331653
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name1-(1-methylpyrrolidin-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)c1cc(C(F)(F)F)nn1C1CCN(C)C1
InChIInChI=1S/C12H18F3N3/c1-8(2)10-6-11(12(13,14)15)16-18(10)9-4-5-17(3)7-9/h6,8-9H,4-5,7H2,1-3H3
InChIKeyYYLKCPUQYZXFNS-UHFFFAOYSA-N
XLogP2.90
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidin-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(1-methylpyrrolidin-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 134331653) is 1-(1-methylpyrrolidin-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(1-methylpyrrolidin-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(1-methylpyrrolidin-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole is CC(C)c1cc(C(F)(F)F)nn1C1CCN(C)C1.
What is the InChIKey of 1-(1-methylpyrrolidin-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is YYLKCPUQYZXFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-8(2)10-6-11(12(13,14)15)16-18(10)9-4-5-17(3)7-9/h6,8-9H,4-5,7H2,1-3H3.
What are the key properties of 1-(1-methylpyrrolidin-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
1-(1-methylpyrrolidin-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 261.29 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidin-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 134331653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).