2-iodo-3,4-dihydropyrazole

C3H5IN2 — CID 126732753

IUPAC2-iodo-3,4-dihydropyrazole
SMILESIN1CCC=N1
InChIInChI=1S/C3H5IN2/c4-6-3-1-2-5-6/h2H,1,3H2
InChIKeyWVPJIUVXZVTSKU-UHFFFAOYSA-N
MW195.99 g/mol
LogP1.03
Rot. Bonds

About 2-iodo-3,4-dihydropyrazole

2-iodo-3,4-dihydropyrazole (PubChem CID 126732753) has the molecular formula C3H5IN2 and a molecular weight of 195.99 g/mol. Its IUPAC name is 2-iodo-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-iodo-3,4-dihydropyrazole
PubChem CID126732753
Molecular FormulaC3H5IN2
Molecular Weight195.99 g/mol
Exact Mass195.95
IUPAC Name2-iodo-3,4-dihydropyrazole
SMILESIN1CCC=N1
InChIInChI=1S/C3H5IN2/c4-6-3-1-2-5-6/h2H,1,3H2
InChIKeyWVPJIUVXZVTSKU-UHFFFAOYSA-N
XLogP1.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.99
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-3,4-dihydropyrazole?
The IUPAC name of 2-iodo-3,4-dihydropyrazole (CID 126732753) is 2-iodo-3,4-dihydropyrazole.
What is the SMILES notation for 2-iodo-3,4-dihydropyrazole?
The canonical SMILES for 2-iodo-3,4-dihydropyrazole is IN1CCC=N1.
What is the InChIKey of 2-iodo-3,4-dihydropyrazole?
The InChIKey is WVPJIUVXZVTSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5IN2/c4-6-3-1-2-5-6/h2H,1,3H2.
What are the key properties of 2-iodo-3,4-dihydropyrazole?
2-iodo-3,4-dihydropyrazole has a molecular weight of 195.99 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3,4-dihydropyrazole is sourced from PubChem (CID 126732753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).