N-[[5-(4-iodopyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine

C11H12IN5 — CID 107381237

IUPACN-[[5-(4-iodopyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
SMILESIc1cnn(-c2cnc(CNC3CC3)cn2)c1
InChIInChI=1S/C11H12IN5/c12-8-3-16-17(7-8)11-6-14-10(5-15-11)4-13-9-1-2-9/h3,5-7,9,13H,1-2,4H2
InChIKeyRRZLXDABWVXOPW-UHFFFAOYSA-N
MW341.16 g/mol
LogP1.52
Rot. Bonds4

About N-[[5-(4-iodopyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine

N-[[5-(4-iodopyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine (PubChem CID 107381237) has the molecular formula C11H12IN5 and a molecular weight of 341.16 g/mol. Its IUPAC name is N-[[5-(4-iodopyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(4-iodopyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
PubChem CID107381237
Molecular FormulaC11H12IN5
Molecular Weight341.16 g/mol
Exact Mass341.01
IUPAC NameN-[[5-(4-iodopyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
SMILESIc1cnn(-c2cnc(CNC3CC3)cn2)c1
InChIInChI=1S/C11H12IN5/c12-8-3-16-17(7-8)11-6-14-10(5-15-11)4-13-9-1-2-9/h3,5-7,9,13H,1-2,4H2
InChIKeyRRZLXDABWVXOPW-UHFFFAOYSA-N
XLogP1.52
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-iodopyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(4-iodopyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine (CID 107381237) is N-[[5-(4-iodopyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(4-iodopyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(4-iodopyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine is Ic1cnn(-c2cnc(CNC3CC3)cn2)c1.
What is the InChIKey of N-[[5-(4-iodopyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine?
The InChIKey is RRZLXDABWVXOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN5/c12-8-3-16-17(7-8)11-6-14-10(5-15-11)4-13-9-1-2-9/h3,5-7,9,13H,1-2,4H2.
What are the key properties of N-[[5-(4-iodopyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine?
N-[[5-(4-iodopyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine has a molecular weight of 341.16 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-iodopyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107381237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).