5-(2,5-dimethoxy-4-phenylphenyl)-4-iodo-1H-pyrazol-3-amine

C17H16IN3O2 — CID 3600901

IUPAC5-(2,5-dimethoxy-4-phenylphenyl)-4-iodo-1H-pyrazol-3-amine
SMILESCOc1cc(-c2[nH]nc(N)c2I)c(OC)cc1-c1ccccc1
InChIInChI=1S/C17H16IN3O2/c1-22-13-9-12(16-15(18)17(19)21-20-16)14(23-2)8-11(13)10-6-4-3-5-7-10/h3-9H,1-2H3,(H3,19,20,21)
InChIKeyUAYHRXNDUXMFSD-UHFFFAOYSA-N
MW421.24 g/mol
LogP3.95
Rot. Bonds4

About 5-(2,5-dimethoxy-4-phenylphenyl)-4-iodo-1H-pyrazol-3-amine

5-(2,5-dimethoxy-4-phenylphenyl)-4-iodo-1H-pyrazol-3-amine (PubChem CID 3600901) has the molecular formula C17H16IN3O2 and a molecular weight of 421.24 g/mol. Its IUPAC name is 5-(2,5-dimethoxy-4-phenylphenyl)-4-iodo-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,5-dimethoxy-4-phenylphenyl)-4-iodo-1H-pyrazol-3-amine
PubChem CID3600901
Molecular FormulaC17H16IN3O2
Molecular Weight421.24 g/mol
Exact Mass421.03
IUPAC Name5-(2,5-dimethoxy-4-phenylphenyl)-4-iodo-1H-pyrazol-3-amine
SMILESCOc1cc(-c2[nH]nc(N)c2I)c(OC)cc1-c1ccccc1
InChIInChI=1S/C17H16IN3O2/c1-22-13-9-12(16-15(18)17(19)21-20-16)14(23-2)8-11(13)10-6-4-3-5-7-10/h3-9H,1-2H3,(H3,19,20,21)
InChIKeyUAYHRXNDUXMFSD-UHFFFAOYSA-N
XLogP3.95
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.24
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxy-4-phenylphenyl)-4-iodo-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,5-dimethoxy-4-phenylphenyl)-4-iodo-1H-pyrazol-3-amine (CID 3600901) is 5-(2,5-dimethoxy-4-phenylphenyl)-4-iodo-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,5-dimethoxy-4-phenylphenyl)-4-iodo-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,5-dimethoxy-4-phenylphenyl)-4-iodo-1H-pyrazol-3-amine is COc1cc(-c2[nH]nc(N)c2I)c(OC)cc1-c1ccccc1.
What is the InChIKey of 5-(2,5-dimethoxy-4-phenylphenyl)-4-iodo-1H-pyrazol-3-amine?
The InChIKey is UAYHRXNDUXMFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16IN3O2/c1-22-13-9-12(16-15(18)17(19)21-20-16)14(23-2)8-11(13)10-6-4-3-5-7-10/h3-9H,1-2H3,(H3,19,20,21).
What are the key properties of 5-(2,5-dimethoxy-4-phenylphenyl)-4-iodo-1H-pyrazol-3-amine?
5-(2,5-dimethoxy-4-phenylphenyl)-4-iodo-1H-pyrazol-3-amine has a molecular weight of 421.24 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxy-4-phenylphenyl)-4-iodo-1H-pyrazol-3-amine is sourced from PubChem (CID 3600901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).