3-iodo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

C6H7IN2 — CID 122129708

IUPAC3-iodo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESIc1cnn2c1CCC2
InChIInChI=1S/C6H7IN2/c7-5-4-8-9-3-1-2-6(5)9/h4H,1-3H2
InChIKeyQMOBFGMPECXXQI-UHFFFAOYSA-N
MW234.04 g/mol
LogP1.43
Rot. Bonds

About 3-iodo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

3-iodo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (PubChem CID 122129708) has the molecular formula C6H7IN2 and a molecular weight of 234.04 g/mol. Its IUPAC name is 3-iodo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.

Molecular Properties

Compound Name3-iodo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
PubChem CID122129708
Molecular FormulaC6H7IN2
Molecular Weight234.04 g/mol
Exact Mass233.97
IUPAC Name3-iodo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESIc1cnn2c1CCC2
InChIInChI=1S/C6H7IN2/c7-5-4-8-9-3-1-2-6(5)9/h4H,1-3H2
InChIKeyQMOBFGMPECXXQI-UHFFFAOYSA-N
XLogP1.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.04
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4H,5H,6H-pyrrolo[1,2-b]pyrazole
CID 15287071
5-cyclopropyl-4-iodo-1-methyl-1H-pyrazole
CID 60136640
4-iodo-1-methyl-3-(propan-2-yl)-1H-pyrazole
CID 75355957
5,6-Dihydro-4H-pyrrolo(1,2-b)pyrazole
CID 11073365
5-(1,1-difluoroethyl)-4-iodo-1-methyl-1H-pyrazole
CID 155978167
4H-pyrrolo[1,2-b]pyrazole
CID 23521594
5-Ethyl-4-iodo-1-(trifluoromethyl)pyrazole
CID 90310421
3-(Azidomethyl)-5,5-difluoro-4,6-dihydropyrrolo[2,1-e]pyrazole
CID 162349413
5,5-Difluoro-3-methyl-4,6-dihydropyrrolo[2,1-e]pyrazole;ethane
CID 168899846
5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl thiohypofluorite
CID 169567105
1,5-Diethyl-4-fluoropyrazole
CID 173588803
1-Ethyl-4-fluoro-5-propylpyrazole
CID 173588884

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The IUPAC name of 3-iodo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (CID 122129708) is 3-iodo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.
What is the SMILES notation for 3-iodo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The canonical SMILES for 3-iodo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is Ic1cnn2c1CCC2.
What is the InChIKey of 3-iodo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The InChIKey is QMOBFGMPECXXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2/c7-5-4-8-9-3-1-2-6(5)9/h4H,1-3H2.
What are the key properties of 3-iodo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
3-iodo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole has a molecular weight of 234.04 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is sourced from PubChem (CID 122129708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).