6-(difluoromethyl)-3-iodopyrazolo[1,5-a]pyrazine

C7H4F2IN3 — CID 178051748

IUPAC6-(difluoromethyl)-3-iodopyrazolo[1,5-a]pyrazine
SMILESFC(F)c1cn2ncc(I)c2cn1
InChIInChI=1S/C7H4F2IN3/c8-7(9)5-3-13-6(2-11-5)4(10)1-12-13/h1-3,7H
InChIKeyHNCDCISEFZRVAP-UHFFFAOYSA-N
MW295.03 g/mol
LogP2.27
Rot. Bonds1

About 6-(difluoromethyl)-3-iodopyrazolo[1,5-a]pyrazine

6-(difluoromethyl)-3-iodopyrazolo[1,5-a]pyrazine (PubChem CID 178051748) has the molecular formula C7H4F2IN3 and a molecular weight of 295.03 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-iodopyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name6-(difluoromethyl)-3-iodopyrazolo[1,5-a]pyrazine
PubChem CID178051748
Molecular FormulaC7H4F2IN3
Molecular Weight295.03 g/mol
Exact Mass294.94
IUPAC Name6-(difluoromethyl)-3-iodopyrazolo[1,5-a]pyrazine
SMILESFC(F)c1cn2ncc(I)c2cn1
InChIInChI=1S/C7H4F2IN3/c8-7(9)5-3-13-6(2-11-5)4(10)1-12-13/h1-3,7H
InChIKeyHNCDCISEFZRVAP-UHFFFAOYSA-N
XLogP2.27
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.03
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(difluoromethyl)-3-iodopyrazolo[1,5-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Bromopyrazolo[1,5-a]pyrazine
CID 67123766
Pyrazolo(1,5-a)pyrazin-3-amine
CID 69460984
4-Chloro-3-iodopyrazolo(1,5-a)pyrazine
CID 145913471
3-Bromo-6,7-dimethylpyrazolo[1,5-a]pyrazine
CID 154577612
6,7-Dimethylpyrazolo(1,5-a)pyrazin-3-amine dihydrochloride
CID 165770821
Pyrazolo[1,5-a]pyrazine
CID 21873758
7-Chloro-3-fluoropyrazolo[1,5-a]pyrazine
CID 169822306
6-Chloro-3-fluoropyrazolo[1,5-a]pyrazine
CID 171511528
3-Fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
CID 172810484
Pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 175743616
6-(1-Methylpyrazol-4-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 175743636
7-Fluoropyrazolo[1,5-a]pyrazine
CID 176894498

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-iodopyrazolo[1,5-a]pyrazine?
The IUPAC name of 6-(difluoromethyl)-3-iodopyrazolo[1,5-a]pyrazine (CID 178051748) is 6-(difluoromethyl)-3-iodopyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 6-(difluoromethyl)-3-iodopyrazolo[1,5-a]pyrazine?
The canonical SMILES for 6-(difluoromethyl)-3-iodopyrazolo[1,5-a]pyrazine is FC(F)c1cn2ncc(I)c2cn1.
What is the InChIKey of 6-(difluoromethyl)-3-iodopyrazolo[1,5-a]pyrazine?
The InChIKey is HNCDCISEFZRVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2IN3/c8-7(9)5-3-13-6(2-11-5)4(10)1-12-13/h1-3,7H.
What are the key properties of 6-(difluoromethyl)-3-iodopyrazolo[1,5-a]pyrazine?
6-(difluoromethyl)-3-iodopyrazolo[1,5-a]pyrazine has a molecular weight of 295.03 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-iodopyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 178051748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).