4-iodo-1H-pyrazol-5-amine

C3H4IN3 — CID 12831626

IUPAC4-iodo-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1I
InChIInChI=1S/C3H4IN3/c4-2-1-6-7-3(2)5/h1H,(H3,5,6,7)
InChIKeyCPVCVVMJPIOKMN-UHFFFAOYSA-N
MW208.99 g/mol
LogP0.60
Rot. Bonds

About 4-iodo-1H-pyrazol-5-amine

4-iodo-1H-pyrazol-5-amine (PubChem CID 12831626) has the molecular formula C3H4IN3 and a molecular weight of 208.99 g/mol. Its IUPAC name is 4-iodo-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-iodo-1H-pyrazol-5-amine
PubChem CID12831626
Molecular FormulaC3H4IN3
Molecular Weight208.99 g/mol
Exact Mass208.94
IUPAC Name4-iodo-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1I
InChIInChI=1S/C3H4IN3/c4-2-1-6-7-3(2)5/h1H,(H3,5,6,7)
InChIKeyCPVCVVMJPIOKMN-UHFFFAOYSA-N
XLogP0.60
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.99
LogP ≤ 50.60
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 4-iodo-1H-pyrazol-5-amine?
The IUPAC name of 4-iodo-1H-pyrazol-5-amine (CID 12831626) is 4-iodo-1H-pyrazol-5-amine.
What is the SMILES notation for 4-iodo-1H-pyrazol-5-amine?
The canonical SMILES for 4-iodo-1H-pyrazol-5-amine is Nc1[nH]ncc1I.
What is the InChIKey of 4-iodo-1H-pyrazol-5-amine?
The InChIKey is CPVCVVMJPIOKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4IN3/c4-2-1-6-7-3(2)5/h1H,(H3,5,6,7).
What are the key properties of 4-iodo-1H-pyrazol-5-amine?
4-iodo-1H-pyrazol-5-amine has a molecular weight of 208.99 g/mol, XLogP of 0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1H-pyrazol-5-amine is sourced from PubChem (CID 12831626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).