(2Z)-2-[(4-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate

C10H9ClN2O — CID 14933815

IUPAC(2Z)-2-[(4-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
SMILES[O-]C1=N/[N+](=C\c2ccc(Cl)cc2)CC1
InChIInChI=1S/C10H9ClN2O/c11-9-3-1-8(2-4-9)7-13-6-5-10(14)12-13/h1-4,7H,5-6H2/b13-7-
InChIKeyBQQZODRIJDCCPY-QPEQYQDCSA-N
MW208.65 g/mol
LogP0.85
Rot. Bonds1

About (2Z)-2-[(4-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate

(2Z)-2-[(4-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate (PubChem CID 14933815) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is (2Z)-2-[(4-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate.

Molecular Properties

Compound Name(2Z)-2-[(4-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
PubChem CID14933815
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name(2Z)-2-[(4-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
SMILES[O-]C1=N/[N+](=C\c2ccc(Cl)cc2)CC1
InChIInChI=1S/C10H9ClN2O/c11-9-3-1-8(2-4-9)7-13-6-5-10(14)12-13/h1-4,7H,5-6H2/b13-7-
InChIKeyBQQZODRIJDCCPY-QPEQYQDCSA-N
XLogP0.85
TPSA38.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z)-2-[(4-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzaldehyde, p-chloro-, dimethylhydrazone
CID 9578518
[(4-Chlorophenyl)methylidene](methyl)amine
CID 11062589
(2E)-2-[(3,4-dichlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
CID 5918495
(2E)-2-[(4-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
CID 5921320
(2E)-2-[(2-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate
CID 5930717
(E)-2-Benzylidene-5-oxopyrazolidin-2-ium-1-ide
CID 5919027
1-(4-chlorophenyl)-N-methylmethanimine oxide
CID 6369182
p-Chlorobenzylidene-butyl-amine
CID 300876
4-chlorobenzenecarbaldehyde N,N-dimethylhydrazone
CID 5374885
(E)-1-(4-chlorophenyl)-N-pyrrolidin-1-ylmethanimine
CID 23279192
c-(4-chlorophenyl)-N-methyl nitrone
CID 3383081
2-Propen-1-amine, N-[(4-chlorophenyl)methylene]-
CID 10921107

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate?
The IUPAC name of (2Z)-2-[(4-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate (CID 14933815) is (2Z)-2-[(4-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate.
What is the SMILES notation for (2Z)-2-[(4-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate?
The canonical SMILES for (2Z)-2-[(4-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate is [O-]C1=N/[N+](=C\c2ccc(Cl)cc2)CC1.
What is the InChIKey of (2Z)-2-[(4-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate?
The InChIKey is BQQZODRIJDCCPY-QPEQYQDCSA-N. The full InChI is InChI=1S/C10H9ClN2O/c11-9-3-1-8(2-4-9)7-13-6-5-10(14)12-13/h1-4,7H,5-6H2/b13-7-.
What are the key properties of (2Z)-2-[(4-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate?
(2Z)-2-[(4-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate has a molecular weight of 208.65 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate is sourced from PubChem (CID 14933815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).