5-methyl-1-propan-2-ylpyrazolidine

C7H16N2 — CID 45092801

IUPAC5-methyl-1-propan-2-ylpyrazolidine
SMILESCC(C)N1NCCC1C
InChIInChI=1S/C7H16N2/c1-6(2)9-7(3)4-5-8-9/h6-8H,4-5H2,1-3H3
InChIKeyYKCWMZOILWVMJJ-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.99
Rot. Bonds1

About 5-methyl-1-propan-2-ylpyrazolidine

5-methyl-1-propan-2-ylpyrazolidine (PubChem CID 45092801) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 5-methyl-1-propan-2-ylpyrazolidine.

Molecular Properties

Compound Name5-methyl-1-propan-2-ylpyrazolidine
PubChem CID45092801
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name5-methyl-1-propan-2-ylpyrazolidine
SMILESCC(C)N1NCCC1C
InChIInChI=1S/C7H16N2/c1-6(2)9-7(3)4-5-8-9/h6-8H,4-5H2,1-3H3
InChIKeyYKCWMZOILWVMJJ-UHFFFAOYSA-N
XLogP0.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propan-2-ylpyrazolidine?
The IUPAC name of 5-methyl-1-propan-2-ylpyrazolidine (CID 45092801) is 5-methyl-1-propan-2-ylpyrazolidine.
What is the SMILES notation for 5-methyl-1-propan-2-ylpyrazolidine?
The canonical SMILES for 5-methyl-1-propan-2-ylpyrazolidine is CC(C)N1NCCC1C.
What is the InChIKey of 5-methyl-1-propan-2-ylpyrazolidine?
The InChIKey is YKCWMZOILWVMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-6(2)9-7(3)4-5-8-9/h6-8H,4-5H2,1-3H3.
What are the key properties of 5-methyl-1-propan-2-ylpyrazolidine?
5-methyl-1-propan-2-ylpyrazolidine has a molecular weight of 128.22 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propan-2-ylpyrazolidine is sourced from PubChem (CID 45092801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).