N-[[5-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine

C12H13IN4 — CID 113469541

IUPACN-[[5-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESIc1cnn(-c2cncc(CNC3CC3)c2)c1
InChIInChI=1S/C12H13IN4/c13-10-6-16-17(8-10)12-3-9(4-14-7-12)5-15-11-1-2-11/h3-4,6-8,11,15H,1-2,5H2
InChIKeyPGPDCWHYAQAGPB-UHFFFAOYSA-N
MW340.17 g/mol
LogP2.12
Rot. Bonds4

About N-[[5-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine

N-[[5-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 113469541) has the molecular formula C12H13IN4 and a molecular weight of 340.17 g/mol. Its IUPAC name is N-[[5-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID113469541
Molecular FormulaC12H13IN4
Molecular Weight340.17 g/mol
Exact Mass340.02
IUPAC NameN-[[5-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESIc1cnn(-c2cncc(CNC3CC3)c2)c1
InChIInChI=1S/C12H13IN4/c13-10-6-16-17(8-10)12-3-9(4-14-7-12)5-15-11-1-2-11/h3-4,6-8,11,15H,1-2,5H2
InChIKeyPGPDCWHYAQAGPB-UHFFFAOYSA-N
XLogP2.12
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine (CID 113469541) is N-[[5-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine is Ic1cnn(-c2cncc(CNC3CC3)c2)c1.
What is the InChIKey of N-[[5-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is PGPDCWHYAQAGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN4/c13-10-6-16-17(8-10)12-3-9(4-14-7-12)5-15-11-1-2-11/h3-4,6-8,11,15H,1-2,5H2.
What are the key properties of N-[[5-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[5-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 340.17 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 113469541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).