5-(4-ethoxy-3-methoxyphenyl)-4-iodo-1H-pyrazol-3-amine

C12H14IN3O2 — CID 4203083

IUPAC5-(4-ethoxy-3-methoxyphenyl)-4-iodo-1H-pyrazol-3-amine
SMILESCCOc1ccc(-c2[nH]nc(N)c2I)cc1OC
InChIInChI=1S/C12H14IN3O2/c1-3-18-8-5-4-7(6-9(8)17-2)11-10(13)12(14)16-15-11/h4-6H,3H2,1-2H3,(H3,14,15,16)
InChIKeyHUPRXOGFKYVBFD-UHFFFAOYSA-N
MW359.17 g/mol
LogP2.67
Rot. Bonds4

About 5-(4-ethoxy-3-methoxyphenyl)-4-iodo-1H-pyrazol-3-amine

5-(4-ethoxy-3-methoxyphenyl)-4-iodo-1H-pyrazol-3-amine (PubChem CID 4203083) has the molecular formula C12H14IN3O2 and a molecular weight of 359.17 g/mol. Its IUPAC name is 5-(4-ethoxy-3-methoxyphenyl)-4-iodo-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-ethoxy-3-methoxyphenyl)-4-iodo-1H-pyrazol-3-amine
PubChem CID4203083
Molecular FormulaC12H14IN3O2
Molecular Weight359.17 g/mol
Exact Mass359.01
IUPAC Name5-(4-ethoxy-3-methoxyphenyl)-4-iodo-1H-pyrazol-3-amine
SMILESCCOc1ccc(-c2[nH]nc(N)c2I)cc1OC
InChIInChI=1S/C12H14IN3O2/c1-3-18-8-5-4-7(6-9(8)17-2)11-10(13)12(14)16-15-11/h4-6H,3H2,1-2H3,(H3,14,15,16)
InChIKeyHUPRXOGFKYVBFD-UHFFFAOYSA-N
XLogP2.67
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.17
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-ethoxy-3-methoxyphenyl)-1H-pyrazol-3-amine
CID 3480116
4-iodo-5-(4-methoxyphenyl)-1H-pyrazol-3-amine
CID 3705848
5-(4-ethoxynaphthalen-1-yl)-4-iodo-1H-pyrazol-3-amine
CID 3294340
4-iodo-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 3755108
5-(4-bromo-2,5-diethoxyphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3764216
5-(2,5-dimethoxy-4-phenylphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3600901
5-(4-chloro-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3613182
6-amino-4-(3,4-dimethoxyphenyl)-3-(4-ethoxy-3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3714032
5-(4-bromo-2,5-dimethoxyphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3589215
2-amino-6-(4-bromophenyl)-4-(4-ethoxy-3-methoxyphenyl)pyridine-3-carbonitrile
CID 3395714
2-[4-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3468254
(4S)-6-amino-3-(4-ethoxy-3-methoxyphenyl)-4-(4-phenylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1400415

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxy-3-methoxyphenyl)-4-iodo-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-ethoxy-3-methoxyphenyl)-4-iodo-1H-pyrazol-3-amine (CID 4203083) is 5-(4-ethoxy-3-methoxyphenyl)-4-iodo-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-ethoxy-3-methoxyphenyl)-4-iodo-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-ethoxy-3-methoxyphenyl)-4-iodo-1H-pyrazol-3-amine is CCOc1ccc(-c2[nH]nc(N)c2I)cc1OC.
What is the InChIKey of 5-(4-ethoxy-3-methoxyphenyl)-4-iodo-1H-pyrazol-3-amine?
The InChIKey is HUPRXOGFKYVBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14IN3O2/c1-3-18-8-5-4-7(6-9(8)17-2)11-10(13)12(14)16-15-11/h4-6H,3H2,1-2H3,(H3,14,15,16).
What are the key properties of 5-(4-ethoxy-3-methoxyphenyl)-4-iodo-1H-pyrazol-3-amine?
5-(4-ethoxy-3-methoxyphenyl)-4-iodo-1H-pyrazol-3-amine has a molecular weight of 359.17 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxy-3-methoxyphenyl)-4-iodo-1H-pyrazol-3-amine is sourced from PubChem (CID 4203083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).