5-ethyl-4-iodo-1H-pyrazol-3-amine

C5H8IN3 — CID 112693857

IUPAC5-ethyl-4-iodo-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(N)c1I
InChIInChI=1S/C5H8IN3/c1-2-3-4(6)5(7)9-8-3/h2H2,1H3,(H3,7,8,9)
InChIKeyRRMSKJNITACQHK-UHFFFAOYSA-N
MW237.04 g/mol
LogP1.16
Rot. Bonds1

About 5-ethyl-4-iodo-1H-pyrazol-3-amine

5-ethyl-4-iodo-1H-pyrazol-3-amine (PubChem CID 112693857) has the molecular formula C5H8IN3 and a molecular weight of 237.04 g/mol. Its IUPAC name is 5-ethyl-4-iodo-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-ethyl-4-iodo-1H-pyrazol-3-amine
PubChem CID112693857
Molecular FormulaC5H8IN3
Molecular Weight237.04 g/mol
Exact Mass236.98
IUPAC Name5-ethyl-4-iodo-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(N)c1I
InChIInChI=1S/C5H8IN3/c1-2-3-4(6)5(7)9-8-3/h2H2,1H3,(H3,7,8,9)
InChIKeyRRMSKJNITACQHK-UHFFFAOYSA-N
XLogP1.16
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 51.16
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-ethyl-4-iodo-1H-pyrazol-3-amine?
The IUPAC name of 5-ethyl-4-iodo-1H-pyrazol-3-amine (CID 112693857) is 5-ethyl-4-iodo-1H-pyrazol-3-amine.
What is the SMILES notation for 5-ethyl-4-iodo-1H-pyrazol-3-amine?
The canonical SMILES for 5-ethyl-4-iodo-1H-pyrazol-3-amine is CCc1[nH]nc(N)c1I.
What is the InChIKey of 5-ethyl-4-iodo-1H-pyrazol-3-amine?
The InChIKey is RRMSKJNITACQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8IN3/c1-2-3-4(6)5(7)9-8-3/h2H2,1H3,(H3,7,8,9).
What are the key properties of 5-ethyl-4-iodo-1H-pyrazol-3-amine?
5-ethyl-4-iodo-1H-pyrazol-3-amine has a molecular weight of 237.04 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-iodo-1H-pyrazol-3-amine is sourced from PubChem (CID 112693857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).