5-iodo-1H-pyrazole

C3H3IN2 — CID 1239830

IUPAC5-iodo-1H-pyrazole
SMILESIc1ccn[nH]1
InChIInChI=1S/C3H3IN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)
InChIKeyRUKDVLFJSMVBLV-UHFFFAOYSA-N
MW193.98 g/mol
LogP1.01
Rot. Bonds

About 5-iodo-1H-pyrazole

5-iodo-1H-pyrazole (PubChem CID 1239830) has the molecular formula C3H3IN2 and a molecular weight of 193.98 g/mol. Its IUPAC name is 5-iodo-1H-pyrazole.

Molecular Properties

Compound Name5-iodo-1H-pyrazole
PubChem CID1239830
Molecular FormulaC3H3IN2
Molecular Weight193.98 g/mol
Exact Mass193.93
IUPAC Name5-iodo-1H-pyrazole
SMILESIc1ccn[nH]1
InChIInChI=1S/C3H3IN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)
InChIKeyRUKDVLFJSMVBLV-UHFFFAOYSA-N
XLogP1.01
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.98
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-1H-pyrazole?
The IUPAC name of 5-iodo-1H-pyrazole (CID 1239830) is 5-iodo-1H-pyrazole.
What is the SMILES notation for 5-iodo-1H-pyrazole?
The canonical SMILES for 5-iodo-1H-pyrazole is Ic1ccn[nH]1.
What is the InChIKey of 5-iodo-1H-pyrazole?
The InChIKey is RUKDVLFJSMVBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3IN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6).
What are the key properties of 5-iodo-1H-pyrazole?
5-iodo-1H-pyrazole has a molecular weight of 193.98 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1H-pyrazole is sourced from PubChem (CID 1239830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).