5-(4-iodophenyl)-1H-pyrazol-3-amine

C9H8IN3 — CID 876082

IUPAC5-(4-iodophenyl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc(I)cc2)[nH]n1
InChIInChI=1S/C9H8IN3/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,(H3,11,12,13)
InChIKeyDLALNTSJBUVVDM-UHFFFAOYSA-N
MW285.09 g/mol
LogP2.26
Rot. Bonds1

About 5-(4-iodophenyl)-1H-pyrazol-3-amine

5-(4-iodophenyl)-1H-pyrazol-3-amine (PubChem CID 876082) has the molecular formula C9H8IN3 and a molecular weight of 285.09 g/mol. Its IUPAC name is 5-(4-iodophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-iodophenyl)-1H-pyrazol-3-amine
PubChem CID876082
Molecular FormulaC9H8IN3
Molecular Weight285.09 g/mol
Exact Mass284.98
IUPAC Name5-(4-iodophenyl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc(I)cc2)[nH]n1
InChIInChI=1S/C9H8IN3/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,(H3,11,12,13)
InChIKeyDLALNTSJBUVVDM-UHFFFAOYSA-N
XLogP2.26
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-iodophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-iodophenyl)-1H-pyrazol-3-amine (CID 876082) is 5-(4-iodophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-iodophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-iodophenyl)-1H-pyrazol-3-amine is Nc1cc(-c2ccc(I)cc2)[nH]n1.
What is the InChIKey of 5-(4-iodophenyl)-1H-pyrazol-3-amine?
The InChIKey is DLALNTSJBUVVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8IN3/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,(H3,11,12,13).
What are the key properties of 5-(4-iodophenyl)-1H-pyrazol-3-amine?
5-(4-iodophenyl)-1H-pyrazol-3-amine has a molecular weight of 285.09 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-iodophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 876082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).