4-iodo-5-methoxy-1-methylpyrazole

C5H7IN2O — CID 135235808

IUPAC4-iodo-5-methoxy-1-methylpyrazole
SMILESCOc1c(I)cnn1C
InChIInChI=1S/C5H7IN2O/c1-8-5(9-2)4(6)3-7-8/h3H,1-2H3
InChIKeyACIAGRHNNRNAFP-UHFFFAOYSA-N
MW238.03 g/mol
LogP1.03
Rot. Bonds1

About 4-iodo-5-methoxy-1-methylpyrazole

4-iodo-5-methoxy-1-methylpyrazole (PubChem CID 135235808) has the molecular formula C5H7IN2O and a molecular weight of 238.03 g/mol. Its IUPAC name is 4-iodo-5-methoxy-1-methylpyrazole.

Molecular Properties

Compound Name4-iodo-5-methoxy-1-methylpyrazole
PubChem CID135235808
Molecular FormulaC5H7IN2O
Molecular Weight238.03 g/mol
Exact Mass237.96
IUPAC Name4-iodo-5-methoxy-1-methylpyrazole
SMILESCOc1c(I)cnn1C
InChIInChI=1S/C5H7IN2O/c1-8-5(9-2)4(6)3-7-8/h3H,1-2H3
InChIKeyACIAGRHNNRNAFP-UHFFFAOYSA-N
XLogP1.03
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.03
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-methoxy-1-methylpyrazole?
The IUPAC name of 4-iodo-5-methoxy-1-methylpyrazole (CID 135235808) is 4-iodo-5-methoxy-1-methylpyrazole.
What is the SMILES notation for 4-iodo-5-methoxy-1-methylpyrazole?
The canonical SMILES for 4-iodo-5-methoxy-1-methylpyrazole is COc1c(I)cnn1C.
What is the InChIKey of 4-iodo-5-methoxy-1-methylpyrazole?
The InChIKey is ACIAGRHNNRNAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IN2O/c1-8-5(9-2)4(6)3-7-8/h3H,1-2H3.
What are the key properties of 4-iodo-5-methoxy-1-methylpyrazole?
4-iodo-5-methoxy-1-methylpyrazole has a molecular weight of 238.03 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-methoxy-1-methylpyrazole is sourced from PubChem (CID 135235808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).