2-(4-iodopyrazol-1-yl)-7-azaspiro[3.5]nonane

C11H16IN3 — CID 118518407

IUPAC2-(4-iodopyrazol-1-yl)-7-azaspiro[3.5]nonane
SMILESIc1cnn(C2CC3(CCNCC3)C2)c1
InChIInChI=1S/C11H16IN3/c12-9-7-14-15(8-9)10-5-11(6-10)1-3-13-4-2-11/h7-8,10,13H,1-6H2
InChIKeyBYKSBCMOUPPDJH-UHFFFAOYSA-N
MW317.17 g/mol
LogP2.19
Rot. Bonds1

About 2-(4-iodopyrazol-1-yl)-7-azaspiro[3.5]nonane

2-(4-iodopyrazol-1-yl)-7-azaspiro[3.5]nonane (PubChem CID 118518407) has the molecular formula C11H16IN3 and a molecular weight of 317.17 g/mol. Its IUPAC name is 2-(4-iodopyrazol-1-yl)-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(4-iodopyrazol-1-yl)-7-azaspiro[3.5]nonane
PubChem CID118518407
Molecular FormulaC11H16IN3
Molecular Weight317.17 g/mol
Exact Mass317.04
IUPAC Name2-(4-iodopyrazol-1-yl)-7-azaspiro[3.5]nonane
SMILESIc1cnn(C2CC3(CCNCC3)C2)c1
InChIInChI=1S/C11H16IN3/c12-9-7-14-15(8-9)10-5-11(6-10)1-3-13-4-2-11/h7-8,10,13H,1-6H2
InChIKeyBYKSBCMOUPPDJH-UHFFFAOYSA-N
XLogP2.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-iodopyrazol-1-yl)-7-azaspiro[3.5]nonane?
The IUPAC name of 2-(4-iodopyrazol-1-yl)-7-azaspiro[3.5]nonane (CID 118518407) is 2-(4-iodopyrazol-1-yl)-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(4-iodopyrazol-1-yl)-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-(4-iodopyrazol-1-yl)-7-azaspiro[3.5]nonane is Ic1cnn(C2CC3(CCNCC3)C2)c1.
What is the InChIKey of 2-(4-iodopyrazol-1-yl)-7-azaspiro[3.5]nonane?
The InChIKey is BYKSBCMOUPPDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3/c12-9-7-14-15(8-9)10-5-11(6-10)1-3-13-4-2-11/h7-8,10,13H,1-6H2.
What are the key properties of 2-(4-iodopyrazol-1-yl)-7-azaspiro[3.5]nonane?
2-(4-iodopyrazol-1-yl)-7-azaspiro[3.5]nonane has a molecular weight of 317.17 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodopyrazol-1-yl)-7-azaspiro[3.5]nonane is sourced from PubChem (CID 118518407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).