1-propan-2-yl-4-propylpyrazolidine

C9H20N2 — CID 90879920

IUPAC1-propan-2-yl-4-propylpyrazolidine
SMILESCCCC1CNN(C(C)C)C1
InChIInChI=1S/C9H20N2/c1-4-5-9-6-10-11(7-9)8(2)3/h8-10H,4-7H2,1-3H3
InChIKeyQNTUFKPHKCAFCA-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.63
Rot. Bonds3

About 1-propan-2-yl-4-propylpyrazolidine

1-propan-2-yl-4-propylpyrazolidine (PubChem CID 90879920) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-propan-2-yl-4-propylpyrazolidine.

Molecular Properties

Compound Name1-propan-2-yl-4-propylpyrazolidine
PubChem CID90879920
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-propan-2-yl-4-propylpyrazolidine
SMILESCCCC1CNN(C(C)C)C1
InChIInChI=1S/C9H20N2/c1-4-5-9-6-10-11(7-9)8(2)3/h8-10H,4-7H2,1-3H3
InChIKeyQNTUFKPHKCAFCA-UHFFFAOYSA-N
XLogP1.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-propylpyrazolidine?
The IUPAC name of 1-propan-2-yl-4-propylpyrazolidine (CID 90879920) is 1-propan-2-yl-4-propylpyrazolidine.
What is the SMILES notation for 1-propan-2-yl-4-propylpyrazolidine?
The canonical SMILES for 1-propan-2-yl-4-propylpyrazolidine is CCCC1CNN(C(C)C)C1.
What is the InChIKey of 1-propan-2-yl-4-propylpyrazolidine?
The InChIKey is QNTUFKPHKCAFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-4-5-9-6-10-11(7-9)8(2)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-propan-2-yl-4-propylpyrazolidine?
1-propan-2-yl-4-propylpyrazolidine has a molecular weight of 156.27 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-propylpyrazolidine is sourced from PubChem (CID 90879920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).