1-N-(1-ethylpyrazol-4-yl)-4-iodobenzene-1,2-diamine

C11H13IN4 — CID 156571539

IUPAC1-N-(1-ethylpyrazol-4-yl)-4-iodobenzene-1,2-diamine
SMILESCCn1cc(Nc2ccc(I)cc2N)cn1
InChIInChI=1S/C11H13IN4/c1-2-16-7-9(6-14-16)15-11-4-3-8(12)5-10(11)13/h3-7,15H,2,13H2,1H3
InChIKeyBLUSGBYIDGFQHB-UHFFFAOYSA-N
MW328.16 g/mol
LogP2.83
Rot. Bonds3

About 1-N-(1-ethylpyrazol-4-yl)-4-iodobenzene-1,2-diamine

1-N-(1-ethylpyrazol-4-yl)-4-iodobenzene-1,2-diamine (PubChem CID 156571539) has the molecular formula C11H13IN4 and a molecular weight of 328.16 g/mol. Its IUPAC name is 1-N-(1-ethylpyrazol-4-yl)-4-iodobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(1-ethylpyrazol-4-yl)-4-iodobenzene-1,2-diamine
PubChem CID156571539
Molecular FormulaC11H13IN4
Molecular Weight328.16 g/mol
Exact Mass328.02
IUPAC Name1-N-(1-ethylpyrazol-4-yl)-4-iodobenzene-1,2-diamine
SMILESCCn1cc(Nc2ccc(I)cc2N)cn1
InChIInChI=1S/C11H13IN4/c1-2-16-7-9(6-14-16)15-11-4-3-8(12)5-10(11)13/h3-7,15H,2,13H2,1H3
InChIKeyBLUSGBYIDGFQHB-UHFFFAOYSA-N
XLogP2.83
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-amino-3-[(1-ethylpyrazol-4-yl)amino]benzoate
CID 82785137
1-N-(1-methylpyrazol-4-yl)benzene-1,2,4-triamine
CID 23212800
2-[(1-ethylpyrazol-4-yl)amino]benzenesulfonamide
CID 43543696
1-N-(6-chloro-3-pyridinyl)-4-iodobenzene-1,2-diamine
CID 156571441
4-iodo-1-N-(4-methylsulfanylphenyl)benzene-1,2-diamine
CID 66066450
2-[(1-ethylpyrazol-4-yl)amino]benzoic acid
CID 62231031
5-(2-amino-4-iodoanilino)-2-methylisoindole-1,3-dione
CID 66066254
N,1-diethylpyrazol-4-amine
CID 43543394
2-amino-4-bromo-N-(1-ethylpyrazol-4-yl)benzenesulfonamide
CID 43543211
2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-5-iodoaniline
CID 113365415
4-N-(1-ethylpyrazol-4-yl)-6-methoxypyrimidine-2,4-diamine
CID 114053016
ethyl 3-amino-2-[(1-ethylpyrazol-4-yl)amino]benzoate
CID 115934164

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-ethylpyrazol-4-yl)-4-iodobenzene-1,2-diamine?
The IUPAC name of 1-N-(1-ethylpyrazol-4-yl)-4-iodobenzene-1,2-diamine (CID 156571539) is 1-N-(1-ethylpyrazol-4-yl)-4-iodobenzene-1,2-diamine.
What is the SMILES notation for 1-N-(1-ethylpyrazol-4-yl)-4-iodobenzene-1,2-diamine?
The canonical SMILES for 1-N-(1-ethylpyrazol-4-yl)-4-iodobenzene-1,2-diamine is CCn1cc(Nc2ccc(I)cc2N)cn1.
What is the InChIKey of 1-N-(1-ethylpyrazol-4-yl)-4-iodobenzene-1,2-diamine?
The InChIKey is BLUSGBYIDGFQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN4/c1-2-16-7-9(6-14-16)15-11-4-3-8(12)5-10(11)13/h3-7,15H,2,13H2,1H3.
What are the key properties of 1-N-(1-ethylpyrazol-4-yl)-4-iodobenzene-1,2-diamine?
1-N-(1-ethylpyrazol-4-yl)-4-iodobenzene-1,2-diamine has a molecular weight of 328.16 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-ethylpyrazol-4-yl)-4-iodobenzene-1,2-diamine is sourced from PubChem (CID 156571539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).