5-(4-iodophenoxy)-1,3-dimethylpyrazol-4-amine

C11H12IN3O — CID 43554486

IUPAC5-(4-iodophenoxy)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(Oc2ccc(I)cc2)c1N
InChIInChI=1S/C11H12IN3O/c1-7-10(13)11(15(2)14-7)16-9-5-3-8(12)4-6-9/h3-6H,13H2,1-2H3
InChIKeyQSKTZVVWQURDKG-UHFFFAOYSA-N
MW329.14 g/mol
LogP2.71
Rot. Bonds2

About 5-(4-iodophenoxy)-1,3-dimethylpyrazol-4-amine

5-(4-iodophenoxy)-1,3-dimethylpyrazol-4-amine (PubChem CID 43554486) has the molecular formula C11H12IN3O and a molecular weight of 329.14 g/mol. Its IUPAC name is 5-(4-iodophenoxy)-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-(4-iodophenoxy)-1,3-dimethylpyrazol-4-amine
PubChem CID43554486
Molecular FormulaC11H12IN3O
Molecular Weight329.14 g/mol
Exact Mass329.00
IUPAC Name5-(4-iodophenoxy)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(Oc2ccc(I)cc2)c1N
InChIInChI=1S/C11H12IN3O/c1-7-10(13)11(15(2)14-7)16-9-5-3-8(12)4-6-9/h3-6H,13H2,1-2H3
InChIKeyQSKTZVVWQURDKG-UHFFFAOYSA-N
XLogP2.71
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(4-iodophenoxy)-1,3-dimethylpyrazol-4-amine 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

4-(bromomethyl)-5-(4-iodophenoxy)-1,3-dimethylpyrazole
CID 107087513
5-(4-chloro-3-fluorophenoxy)-1,3-dimethylpyrazol-4-amine
CID 82716620
1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-amine
CID 116792438
N-[[5-(4-iodophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 63070596
4-(4-iodo-1,3-dimethylpyrazol-5-yl)oxybenzoic acid
CID 86811269
5-[4-(4-methoxyphenoxy)phenoxy]-1,3,4-trimethylpyrazole
CID 70868271
5-(2-chloro-5-fluorophenoxy)-1,3-dimethylpyrazol-4-amine
CID 114264208
(E)-1-[5-(4-iodophenoxy)-1,3-dimethylpyrazol-4-yl]-N-[(4-methylthiadiazol-5-yl)methoxy]methanimine
CID 155553633
5-(4-chlorophenoxy)-1,3-dimethylpyrazole-4-carbothioamide
CID 63750938
[4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]methanol
CID 61228953
1-iodo-4-[4-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494530
4-(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)oxybenzamide
CID 66013536

Frequently Asked Questions

What is the IUPAC name of 5-(4-iodophenoxy)-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-(4-iodophenoxy)-1,3-dimethylpyrazol-4-amine (CID 43554486) is 5-(4-iodophenoxy)-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-(4-iodophenoxy)-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-(4-iodophenoxy)-1,3-dimethylpyrazol-4-amine is Cc1nn(C)c(Oc2ccc(I)cc2)c1N.
What is the InChIKey of 5-(4-iodophenoxy)-1,3-dimethylpyrazol-4-amine?
The InChIKey is QSKTZVVWQURDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN3O/c1-7-10(13)11(15(2)14-7)16-9-5-3-8(12)4-6-9/h3-6H,13H2,1-2H3.
What are the key properties of 5-(4-iodophenoxy)-1,3-dimethylpyrazol-4-amine?
5-(4-iodophenoxy)-1,3-dimethylpyrazol-4-amine has a molecular weight of 329.14 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-iodophenoxy)-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 43554486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).