1-(4-fluoro-1-methylpyrrolidin-3-yl)-4-propan-2-ylpyrazole

C11H18FN3 — CID 166764372

IUPAC1-(4-fluoro-1-methylpyrrolidin-3-yl)-4-propan-2-ylpyrazole
SMILESCC(C)c1cnn(C2CN(C)CC2F)c1
InChIInChI=1S/C11H18FN3/c1-8(2)9-4-13-15(5-9)11-7-14(3)6-10(11)12/h4-5,8,10-11H,6-7H2,1-3H3
InChIKeyUZVFGUHSEIFQKE-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.83
Rot. Bonds2

About 1-(4-fluoro-1-methylpyrrolidin-3-yl)-4-propan-2-ylpyrazole

1-(4-fluoro-1-methylpyrrolidin-3-yl)-4-propan-2-ylpyrazole (PubChem CID 166764372) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-(4-fluoro-1-methylpyrrolidin-3-yl)-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-(4-fluoro-1-methylpyrrolidin-3-yl)-4-propan-2-ylpyrazole
PubChem CID166764372
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name1-(4-fluoro-1-methylpyrrolidin-3-yl)-4-propan-2-ylpyrazole
SMILESCC(C)c1cnn(C2CN(C)CC2F)c1
InChIInChI=1S/C11H18FN3/c1-8(2)9-4-13-15(5-9)11-7-14(3)6-10(11)12/h4-5,8,10-11H,6-7H2,1-3H3
InChIKeyUZVFGUHSEIFQKE-UHFFFAOYSA-N
XLogP1.83
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1-methylpyrrolidin-3-yl)-4-propan-2-ylpyrazole?
The IUPAC name of 1-(4-fluoro-1-methylpyrrolidin-3-yl)-4-propan-2-ylpyrazole (CID 166764372) is 1-(4-fluoro-1-methylpyrrolidin-3-yl)-4-propan-2-ylpyrazole.
What is the SMILES notation for 1-(4-fluoro-1-methylpyrrolidin-3-yl)-4-propan-2-ylpyrazole?
The canonical SMILES for 1-(4-fluoro-1-methylpyrrolidin-3-yl)-4-propan-2-ylpyrazole is CC(C)c1cnn(C2CN(C)CC2F)c1.
What is the InChIKey of 1-(4-fluoro-1-methylpyrrolidin-3-yl)-4-propan-2-ylpyrazole?
The InChIKey is UZVFGUHSEIFQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c1-8(2)9-4-13-15(5-9)11-7-14(3)6-10(11)12/h4-5,8,10-11H,6-7H2,1-3H3.
What are the key properties of 1-(4-fluoro-1-methylpyrrolidin-3-yl)-4-propan-2-ylpyrazole?
1-(4-fluoro-1-methylpyrrolidin-3-yl)-4-propan-2-ylpyrazole has a molecular weight of 211.28 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1-methylpyrrolidin-3-yl)-4-propan-2-ylpyrazole is sourced from PubChem (CID 166764372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).