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

C10H10IN3O — CID 3705848

IUPAC4-iodo-5-(4-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2[nH]nc(N)c2I)cc1
InChIInChI=1S/C10H10IN3O/c1-15-7-4-2-6(3-5-7)9-8(11)10(12)14-13-9/h2-5H,1H3,(H3,12,13,14)
InChIKeyCYLRSBLTZLZCEG-UHFFFAOYSA-N
MW315.11 g/mol
LogP2.27
Rot. Bonds2

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

4-iodo-5-(4-methoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 3705848) has the molecular formula C10H10IN3O and a molecular weight of 315.11 g/mol. Its IUPAC name is 4-iodo-5-(4-methoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-iodo-5-(4-methoxyphenyl)-1H-pyrazol-3-amine
PubChem CID3705848
Molecular FormulaC10H10IN3O
Molecular Weight315.11 g/mol
Exact Mass314.99
IUPAC Name4-iodo-5-(4-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2[nH]nc(N)c2I)cc1
InChIInChI=1S/C10H10IN3O/c1-15-7-4-2-6(3-5-7)9-8(11)10(12)14-13-9/h2-5H,1H3,(H3,12,13,14)
InChIKeyCYLRSBLTZLZCEG-UHFFFAOYSA-N
XLogP2.27
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.11
LogP ≤ 52.27
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

4-iodo-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 3755108
5-(4-ethoxy-3-methoxyphenyl)-4-iodo-1H-pyrazol-3-amine
CID 4203083
4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride
CID 75530669
5-(4-chloro-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3613182
5-(2,5-dimethoxy-4-phenylphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3600901
5-(4-fluorophenyl)-4-methoxy-1H-pyrazol-3-amine
CID 134439842
6-(4-methoxyphenyl)-1H-indazol-3-amine
CID 11564957
5-(4-benzylphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3766427
5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 61261996
5-(2-bromofuran-3-yl)-4-(4-methoxyphenyl)-1H-pyrazol-3-amine
CID 106854527
butyl 2-[3-amino-5-(4-methoxyphenyl)-1H-pyrazol-4-yl]acetate
CID 54113925
3-amino-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82082689

Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-(4-methoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-iodo-5-(4-methoxyphenyl)-1H-pyrazol-3-amine (CID 3705848) is 4-iodo-5-(4-methoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-iodo-5-(4-methoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-iodo-5-(4-methoxyphenyl)-1H-pyrazol-3-amine is COc1ccc(-c2[nH]nc(N)c2I)cc1.
What is the InChIKey of 4-iodo-5-(4-methoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is CYLRSBLTZLZCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN3O/c1-15-7-4-2-6(3-5-7)9-8(11)10(12)14-13-9/h2-5H,1H3,(H3,12,13,14).
What are the key properties of 4-iodo-5-(4-methoxyphenyl)-1H-pyrazol-3-amine?
4-iodo-5-(4-methoxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 315.11 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-(4-methoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 3705848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).