(1Z)-1-[(4-bromophenyl)methylidene]pyrazolidin-1-ium-2-ide

C10H11BrN2 — CID 134876675

IUPAC(1Z)-1-[(4-bromophenyl)methylidene]pyrazolidin-1-ium-2-ide
SMILESBrc1ccc(/C=[N+]2/CCC[N-]2)cc1
InChIInChI=1S/C10H11BrN2/c11-10-4-2-9(3-5-10)8-13-7-1-6-12-13/h2-5,8H,1,6-7H2/b13-8-
InChIKeyDZWSSFILZIVOIO-JYRVWZFOSA-N
MW239.12 g/mol
LogP2.57
Rot. Bonds1

About (1Z)-1-[(4-bromophenyl)methylidene]pyrazolidin-1-ium-2-ide

(1Z)-1-[(4-bromophenyl)methylidene]pyrazolidin-1-ium-2-ide (PubChem CID 134876675) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is (1Z)-1-[(4-bromophenyl)methylidene]pyrazolidin-1-ium-2-ide.

Molecular Properties

Compound Name(1Z)-1-[(4-bromophenyl)methylidene]pyrazolidin-1-ium-2-ide
PubChem CID134876675
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name(1Z)-1-[(4-bromophenyl)methylidene]pyrazolidin-1-ium-2-ide
SMILESBrc1ccc(/C=[N+]2/CCC[N-]2)cc1
InChIInChI=1S/C10H11BrN2/c11-10-4-2-9(3-5-10)8-13-7-1-6-12-13/h2-5,8H,1,6-7H2/b13-8-
InChIKeyDZWSSFILZIVOIO-JYRVWZFOSA-N
XLogP2.57
TPSA17.11 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(1E,2E)-1,2-bis(4-bromobenzylidene)hydrazine
CID 6894308
(Z)-1-(4-bromophenyl)-N-[(Z)-(4-bromophenyl)methylideneamino]methanimine
CID 5644883
1-(4-bromophenyl)-N-methylmethanimine oxide
CID 6338877
2-[(2-Bromophenyl)methylidene]-1,1-dimethylhydrazine
CID 110337061
Allyl-(4-bromo-benzylidene)-amine
CID 11436030
1-Bromo-4-(diazomethyl)benzene
CID 12584591
p-Bromobenzylidene-t-butylamine
CID 13133205
1-[(4-Bromo-2-fluorophenyl)methylidene]pyrrolidin-1-ium
CID 17912269
Methanamine, N-[(4-bromophenyl)methylene]-
CID 12236908
Benzaldehyde, 4-bromo-, hydrazone
CID 3475345
(2Z)-2-[(3-bromophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
CID 12080111
1-(4-bromophenyl)-N-ethylmethanimine
CID 12927007

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(4-bromophenyl)methylidene]pyrazolidin-1-ium-2-ide?
The IUPAC name of (1Z)-1-[(4-bromophenyl)methylidene]pyrazolidin-1-ium-2-ide (CID 134876675) is (1Z)-1-[(4-bromophenyl)methylidene]pyrazolidin-1-ium-2-ide.
What is the SMILES notation for (1Z)-1-[(4-bromophenyl)methylidene]pyrazolidin-1-ium-2-ide?
The canonical SMILES for (1Z)-1-[(4-bromophenyl)methylidene]pyrazolidin-1-ium-2-ide is Brc1ccc(/C=[N+]2/CCC[N-]2)cc1.
What is the InChIKey of (1Z)-1-[(4-bromophenyl)methylidene]pyrazolidin-1-ium-2-ide?
The InChIKey is DZWSSFILZIVOIO-JYRVWZFOSA-N. The full InChI is InChI=1S/C10H11BrN2/c11-10-4-2-9(3-5-10)8-13-7-1-6-12-13/h2-5,8H,1,6-7H2/b13-8-.
What are the key properties of (1Z)-1-[(4-bromophenyl)methylidene]pyrazolidin-1-ium-2-ide?
(1Z)-1-[(4-bromophenyl)methylidene]pyrazolidin-1-ium-2-ide has a molecular weight of 239.12 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(4-bromophenyl)methylidene]pyrazolidin-1-ium-2-ide is sourced from PubChem (CID 134876675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).