4-bromo-1-propan-2-ylpyrazole;pyrrolidine

C10H18BrN3 — CID 143154438

IUPAC4-bromo-1-propan-2-ylpyrazole;pyrrolidine
SMILESC1CCNC1.CC(C)n1cc(Br)cn1
InChIInChI=1S/C6H9BrN2.C4H9N/c1-5(2)9-4-6(7)3-8-9;1-2-4-5-3-1/h3-5H,1-2H3;5H,1-4H2
InChIKeyJKTUXRARENTJRW-UHFFFAOYSA-N
MW260.18 g/mol
LogP2.60
Rot. Bonds1

About 4-bromo-1-propan-2-ylpyrazole;pyrrolidine

4-bromo-1-propan-2-ylpyrazole;pyrrolidine (PubChem CID 143154438) has the molecular formula C10H18BrN3 and a molecular weight of 260.18 g/mol. Its IUPAC name is 4-bromo-1-propan-2-ylpyrazole;pyrrolidine.

Molecular Properties

Compound Name4-bromo-1-propan-2-ylpyrazole;pyrrolidine
PubChem CID143154438
Molecular FormulaC10H18BrN3
Molecular Weight260.18 g/mol
Exact Mass259.07
IUPAC Name4-bromo-1-propan-2-ylpyrazole;pyrrolidine
SMILESC1CCNC1.CC(C)n1cc(Br)cn1
InChIInChI=1S/C6H9BrN2.C4H9N/c1-5(2)9-4-6(7)3-8-9;1-2-4-5-3-1/h3-5H,1-2H3;5H,1-4H2
InChIKeyJKTUXRARENTJRW-UHFFFAOYSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-propan-2-ylpyrazole;pyrrolidine?
The IUPAC name of 4-bromo-1-propan-2-ylpyrazole;pyrrolidine (CID 143154438) is 4-bromo-1-propan-2-ylpyrazole;pyrrolidine.
What is the SMILES notation for 4-bromo-1-propan-2-ylpyrazole;pyrrolidine?
The canonical SMILES for 4-bromo-1-propan-2-ylpyrazole;pyrrolidine is C1CCNC1.CC(C)n1cc(Br)cn1.
What is the InChIKey of 4-bromo-1-propan-2-ylpyrazole;pyrrolidine?
The InChIKey is JKTUXRARENTJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2.C4H9N/c1-5(2)9-4-6(7)3-8-9;1-2-4-5-3-1/h3-5H,1-2H3;5H,1-4H2.
What are the key properties of 4-bromo-1-propan-2-ylpyrazole;pyrrolidine?
4-bromo-1-propan-2-ylpyrazole;pyrrolidine has a molecular weight of 260.18 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-propan-2-ylpyrazole;pyrrolidine is sourced from PubChem (CID 143154438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).