4-(3-iodophenyl)-1-(3-methoxy-3-methylbutyl)pyrazole

C15H19IN2O — CID 103019466

IUPAC4-(3-iodophenyl)-1-(3-methoxy-3-methylbutyl)pyrazole
SMILESCOC(C)(C)CCn1cc(-c2cccc(I)c2)cn1
InChIInChI=1S/C15H19IN2O/c1-15(2,19-3)7-8-18-11-13(10-17-18)12-5-4-6-14(16)9-12/h4-6,9-11H,7-8H2,1-3H3
InChIKeyUQSJMQSLAZAHTO-UHFFFAOYSA-N
MW370.23 g/mol
LogP3.97
Rot. Bonds5

About 4-(3-iodophenyl)-1-(3-methoxy-3-methylbutyl)pyrazole

4-(3-iodophenyl)-1-(3-methoxy-3-methylbutyl)pyrazole (PubChem CID 103019466) has the molecular formula C15H19IN2O and a molecular weight of 370.23 g/mol. Its IUPAC name is 4-(3-iodophenyl)-1-(3-methoxy-3-methylbutyl)pyrazole.

Molecular Properties

Compound Name4-(3-iodophenyl)-1-(3-methoxy-3-methylbutyl)pyrazole
PubChem CID103019466
Molecular FormulaC15H19IN2O
Molecular Weight370.23 g/mol
Exact Mass370.05
IUPAC Name4-(3-iodophenyl)-1-(3-methoxy-3-methylbutyl)pyrazole
SMILESCOC(C)(C)CCn1cc(-c2cccc(I)c2)cn1
InChIInChI=1S/C15H19IN2O/c1-15(2,19-3)7-8-18-11-13(10-17-18)12-5-4-6-14(16)9-12/h4-6,9-11H,7-8H2,1-3H3
InChIKeyUQSJMQSLAZAHTO-UHFFFAOYSA-N
XLogP3.97
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 53.97
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-(3-iodophenyl)-1-(3-methoxy-3-methylbutyl)pyrazole?
The IUPAC name of 4-(3-iodophenyl)-1-(3-methoxy-3-methylbutyl)pyrazole (CID 103019466) is 4-(3-iodophenyl)-1-(3-methoxy-3-methylbutyl)pyrazole.
What is the SMILES notation for 4-(3-iodophenyl)-1-(3-methoxy-3-methylbutyl)pyrazole?
The canonical SMILES for 4-(3-iodophenyl)-1-(3-methoxy-3-methylbutyl)pyrazole is COC(C)(C)CCn1cc(-c2cccc(I)c2)cn1.
What is the InChIKey of 4-(3-iodophenyl)-1-(3-methoxy-3-methylbutyl)pyrazole?
The InChIKey is UQSJMQSLAZAHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN2O/c1-15(2,19-3)7-8-18-11-13(10-17-18)12-5-4-6-14(16)9-12/h4-6,9-11H,7-8H2,1-3H3.
What are the key properties of 4-(3-iodophenyl)-1-(3-methoxy-3-methylbutyl)pyrazole?
4-(3-iodophenyl)-1-(3-methoxy-3-methylbutyl)pyrazole has a molecular weight of 370.23 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-iodophenyl)-1-(3-methoxy-3-methylbutyl)pyrazole is sourced from PubChem (CID 103019466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).