5-(4-ethoxynaphthalen-1-yl)-4-iodo-1H-pyrazol-3-amine

C15H14IN3O — CID 3294340

IUPAC5-(4-ethoxynaphthalen-1-yl)-4-iodo-1H-pyrazol-3-amine
SMILESCCOc1ccc(-c2[nH]nc(N)c2I)c2ccccc12
InChIInChI=1S/C15H14IN3O/c1-2-20-12-8-7-11(9-5-3-4-6-10(9)12)14-13(16)15(17)19-18-14/h3-8H,2H2,1H3,(H3,17,18,19)
InChIKeyLYSRVATUHZDSEV-UHFFFAOYSA-N
MW379.20 g/mol
LogP3.82
Rot. Bonds3

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

5-(4-ethoxynaphthalen-1-yl)-4-iodo-1H-pyrazol-3-amine (PubChem CID 3294340) has the molecular formula C15H14IN3O and a molecular weight of 379.20 g/mol. Its IUPAC name is 5-(4-ethoxynaphthalen-1-yl)-4-iodo-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-ethoxynaphthalen-1-yl)-4-iodo-1H-pyrazol-3-amine
PubChem CID3294340
Molecular FormulaC15H14IN3O
Molecular Weight379.20 g/mol
Exact Mass379.02
IUPAC Name5-(4-ethoxynaphthalen-1-yl)-4-iodo-1H-pyrazol-3-amine
SMILESCCOc1ccc(-c2[nH]nc(N)c2I)c2ccccc12
InChIInChI=1S/C15H14IN3O/c1-2-20-12-8-7-11(9-5-3-4-6-10(9)12)14-13(16)15(17)19-18-14/h3-8H,2H2,1H3,(H3,17,18,19)
InChIKeyLYSRVATUHZDSEV-UHFFFAOYSA-N
XLogP3.82
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 53.82
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-(4-ethoxynaphthalen-1-yl)-1H-pyrazol-3-amine
CID 3539207
5-(4-bromo-2,5-diethoxyphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3764216
5-(4-ethoxy-3-methoxyphenyl)-4-iodo-1H-pyrazol-3-amine
CID 4203083
5-(3,5-dichloro-2-ethoxyphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3793490
4-iodo-5-(2-methylphenyl)-1H-pyrazol-3-amine
CID 3812694
5-(2,5-dimethoxy-4-phenylphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3600901
5-(2-chloro-4-phenylmethoxyphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3298518
4-iodo-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 3755108
5-(8-ethoxyquinolin-5-yl)-1H-pyrazol-3-amine
CID 117388997
5-(4-bromo-2,5-dimethoxyphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3589215
6-(2-aminophenyl)-2,3-diethoxyaniline
CID 175397921
5-(4-benzylphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3766427

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxynaphthalen-1-yl)-4-iodo-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-ethoxynaphthalen-1-yl)-4-iodo-1H-pyrazol-3-amine (CID 3294340) is 5-(4-ethoxynaphthalen-1-yl)-4-iodo-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-ethoxynaphthalen-1-yl)-4-iodo-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-ethoxynaphthalen-1-yl)-4-iodo-1H-pyrazol-3-amine is CCOc1ccc(-c2[nH]nc(N)c2I)c2ccccc12.
What is the InChIKey of 5-(4-ethoxynaphthalen-1-yl)-4-iodo-1H-pyrazol-3-amine?
The InChIKey is LYSRVATUHZDSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN3O/c1-2-20-12-8-7-11(9-5-3-4-6-10(9)12)14-13(16)15(17)19-18-14/h3-8H,2H2,1H3,(H3,17,18,19).
What are the key properties of 5-(4-ethoxynaphthalen-1-yl)-4-iodo-1H-pyrazol-3-amine?
5-(4-ethoxynaphthalen-1-yl)-4-iodo-1H-pyrazol-3-amine has a molecular weight of 379.20 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxynaphthalen-1-yl)-4-iodo-1H-pyrazol-3-amine is sourced from PubChem (CID 3294340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).