5-(5-chloro-2-methoxy-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine

C11H11ClIN3O — CID 3570755

IUPAC5-(5-chloro-2-methoxy-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine
SMILESCOc1c(C)cc(Cl)cc1-c1[nH]nc(N)c1I
InChIInChI=1S/C11H11ClIN3O/c1-5-3-6(12)4-7(10(5)17-2)9-8(13)11(14)16-15-9/h3-4H,1-2H3,(H3,14,15,16)
InChIKeyMLXVSSNDMCTUKO-UHFFFAOYSA-N
MW363.59 g/mol
LogP3.23
Rot. Bonds2

About 5-(5-chloro-2-methoxy-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine

5-(5-chloro-2-methoxy-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine (PubChem CID 3570755) has the molecular formula C11H11ClIN3O and a molecular weight of 363.59 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxy-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-chloro-2-methoxy-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine
PubChem CID3570755
Molecular FormulaC11H11ClIN3O
Molecular Weight363.59 g/mol
Exact Mass362.96
IUPAC Name5-(5-chloro-2-methoxy-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine
SMILESCOc1c(C)cc(Cl)cc1-c1[nH]nc(N)c1I
InChIInChI=1S/C11H11ClIN3O/c1-5-3-6(12)4-7(10(5)17-2)9-8(13)11(14)16-15-9/h3-4H,1-2H3,(H3,14,15,16)
InChIKeyMLXVSSNDMCTUKO-UHFFFAOYSA-N
XLogP3.23
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.59
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3,5-dichloro-2-ethoxyphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3793490
2-[3-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-yl]ethanamine
CID 82486872
5-(4-bromo-2,5-dimethoxyphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3589215
4-iodo-5-(2-methylphenyl)-1H-pyrazol-3-amine
CID 3812694
5-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole
CID 116869044
4-bromo-3-(5-chloro-2-methoxy-3-methylphenyl)-5-methyl-1H-pyrazole
CID 116856682
5-(4-chloro-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3613182
6-(5-chloro-2-methoxy-3-methylphenyl)-1,2,4-triazin-5-amine
CID 116823026
[6-(5-chloro-2-methoxy-3-methylphenyl)pyridazin-3-yl]methanamine
CID 82303524
5-(2,5-dimethoxy-4-phenylphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3600901
4-iodo-5-(4-methoxyphenyl)-1H-pyrazol-3-amine
CID 3705848
4-(5-chloro-2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole
CID 116967848

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxy-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-chloro-2-methoxy-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine (CID 3570755) is 5-(5-chloro-2-methoxy-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-chloro-2-methoxy-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-chloro-2-methoxy-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine is COc1c(C)cc(Cl)cc1-c1[nH]nc(N)c1I.
What is the InChIKey of 5-(5-chloro-2-methoxy-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine?
The InChIKey is MLXVSSNDMCTUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClIN3O/c1-5-3-6(12)4-7(10(5)17-2)9-8(13)11(14)16-15-9/h3-4H,1-2H3,(H3,14,15,16).
What are the key properties of 5-(5-chloro-2-methoxy-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine?
5-(5-chloro-2-methoxy-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine has a molecular weight of 363.59 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxy-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine is sourced from PubChem (CID 3570755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).