4-iodo-5-methyl-1-thiophen-2-ylpyrazole

C8H7IN2S — CID 67207269

IUPAC4-iodo-5-methyl-1-thiophen-2-ylpyrazole
SMILESCc1c(I)cnn1-c1cccs1
InChIInChI=1S/C8H7IN2S/c1-6-7(9)5-10-11(6)8-3-2-4-12-8/h2-5H,1H3
InChIKeyCMMMWSUWBMFSKP-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.85
Rot. Bonds1

About 4-iodo-5-methyl-1-thiophen-2-ylpyrazole

4-iodo-5-methyl-1-thiophen-2-ylpyrazole (PubChem CID 67207269) has the molecular formula C8H7IN2S and a molecular weight of 290.13 g/mol. Its IUPAC name is 4-iodo-5-methyl-1-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name4-iodo-5-methyl-1-thiophen-2-ylpyrazole
PubChem CID67207269
Molecular FormulaC8H7IN2S
Molecular Weight290.13 g/mol
Exact Mass289.94
IUPAC Name4-iodo-5-methyl-1-thiophen-2-ylpyrazole
SMILESCc1c(I)cnn1-c1cccs1
InChIInChI=1S/C8H7IN2S/c1-6-7(9)5-10-11(6)8-3-2-4-12-8/h2-5H,1H3
InChIKeyCMMMWSUWBMFSKP-UHFFFAOYSA-N
XLogP2.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Thiophen-2-yl)-1H-pyrazole
CID 12554484
4-Chloro-1-thiophen-2-ylpyrazole
CID 91477161
1-Thiophen-3-yl-5-(trifluoromethyl)pyrazole
CID 90959824
1-Thiophen-3-yl-3-(trifluoromethyl)pyrazole
CID 90985717
1-Thiophen-2-yl-5-(trifluoromethyl)pyrazole
CID 91206888
4-Fluoro-1-thiophen-2-ylpyrazole
CID 91802495
5-(Difluoromethyl)-1-thiophen-3-ylpyrazole
CID 173589750
5-Iodo-1-(2-iodothiophen-3-yl)pyrazole
CID 53310186
1-(Thiophen-3-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 116621382
1-Thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 153727318
1-(1,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(3-thienylmethyl)methanamine
CID 50964030
5-methyl-1-(2-thienyl)-1H-pyrazole
CID 67207277

Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-methyl-1-thiophen-2-ylpyrazole?
The IUPAC name of 4-iodo-5-methyl-1-thiophen-2-ylpyrazole (CID 67207269) is 4-iodo-5-methyl-1-thiophen-2-ylpyrazole.
What is the SMILES notation for 4-iodo-5-methyl-1-thiophen-2-ylpyrazole?
The canonical SMILES for 4-iodo-5-methyl-1-thiophen-2-ylpyrazole is Cc1c(I)cnn1-c1cccs1.
What is the InChIKey of 4-iodo-5-methyl-1-thiophen-2-ylpyrazole?
The InChIKey is CMMMWSUWBMFSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2S/c1-6-7(9)5-10-11(6)8-3-2-4-12-8/h2-5H,1H3.
What are the key properties of 4-iodo-5-methyl-1-thiophen-2-ylpyrazole?
4-iodo-5-methyl-1-thiophen-2-ylpyrazole has a molecular weight of 290.13 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-methyl-1-thiophen-2-ylpyrazole is sourced from PubChem (CID 67207269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).