4-(tribromomethyl)-1H-pyrazol-5-amine

C4H4Br3N3 — CID 121362416

IUPAC4-(tribromomethyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1C(Br)(Br)Br
InChIInChI=1S/C4H4Br3N3/c5-4(6,7)2-1-9-10-3(2)8/h1H,(H3,8,9,10)
InChIKeyWNCGVSYMANOCNE-UHFFFAOYSA-N
MW333.81 g/mol
LogP2.29
Rot. Bonds

About 4-(tribromomethyl)-1H-pyrazol-5-amine

4-(tribromomethyl)-1H-pyrazol-5-amine (PubChem CID 121362416) has the molecular formula C4H4Br3N3 and a molecular weight of 333.81 g/mol. Its IUPAC name is 4-(tribromomethyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(tribromomethyl)-1H-pyrazol-5-amine
PubChem CID121362416
Molecular FormulaC4H4Br3N3
Molecular Weight333.81 g/mol
Exact Mass330.80
IUPAC Name4-(tribromomethyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1C(Br)(Br)Br
InChIInChI=1S/C4H4Br3N3/c5-4(6,7)2-1-9-10-3(2)8/h1H,(H3,8,9,10)
InChIKeyWNCGVSYMANOCNE-UHFFFAOYSA-N
XLogP2.29
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.81
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(tribromomethyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(tribromomethyl)-1H-pyrazol-5-amine (CID 121362416) is 4-(tribromomethyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(tribromomethyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(tribromomethyl)-1H-pyrazol-5-amine is Nc1[nH]ncc1C(Br)(Br)Br.
What is the InChIKey of 4-(tribromomethyl)-1H-pyrazol-5-amine?
The InChIKey is WNCGVSYMANOCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Br3N3/c5-4(6,7)2-1-9-10-3(2)8/h1H,(H3,8,9,10).
What are the key properties of 4-(tribromomethyl)-1H-pyrazol-5-amine?
4-(tribromomethyl)-1H-pyrazol-5-amine has a molecular weight of 333.81 g/mol, XLogP of 2.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tribromomethyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 121362416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).