imino-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)azanium

C10H9N4O+ — CID 6334003

IUPACimino-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)azanium
SMILESCC1=NN(c2ccccc2)C(=O)C1=[N+]=N
InChIInChI=1S/C10H9N4O/c1-7-9(12-11)10(15)14(13-7)8-5-3-2-4-6-8/h2-6,11H,1H3/q+1
InChIKeyPYLNRLOCUPJEIP-UHFFFAOYSA-N
MW201.21 g/mol
LogP1.09
Rot. Bonds1

About imino-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)azanium

imino-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)azanium (PubChem CID 6334003) has the molecular formula C10H9N4O+ and a molecular weight of 201.21 g/mol. Its IUPAC name is imino-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)azanium.

Molecular Properties

Compound Nameimino-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)azanium
PubChem CID6334003
Molecular FormulaC10H9N4O+
Molecular Weight201.21 g/mol
Exact Mass201.08
IUPAC Nameimino-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)azanium
SMILESCC1=NN(c2ccccc2)C(=O)C1=[N+]=N
InChIInChI=1S/C10H9N4O/c1-7-9(12-11)10(15)14(13-7)8-5-3-2-4-6-8/h2-6,11H,1H3/q+1
InChIKeyPYLNRLOCUPJEIP-UHFFFAOYSA-N
XLogP1.09
TPSA70.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(4Z)-4-[1-(dimethylamino)ethylidene]-5-methyl-2-phenylpyrazol-3-one
CID 177488146
(4E)-4-(dimethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one
CID 2799571
5-methyl-4-[[2-[[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-phenylmethyl]amino]anilino]-phenylmethylidene]-2-phenylpyrazol-3-one
CID 6843684
(4Z)-5-methyl-2-phenyl-4-[(N-phenylanilino)methylidene]pyrazol-3-one
CID 6081178
4-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 3580926
(4E)-4-[(4-fluorophenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 6537766
(4E)-4-(diethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one
CID 6383687
(4E)-5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one
CID 6339121
(4E)-5-methyl-2-phenyl-4-[(2,4,6-trimethylphenyl)methylidene]pyrazol-3-one
CID 94844047
4-methyl-2-phenylcyclopenta[c]pyrazol-3-one
CID 69297197
4-[(2-bromophenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 132897067
5-methyl-4-[[4-[4-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methylamino]phenyl]anilino]methylidene]-2-phenylpyrazol-3-one
CID 6833105

Frequently Asked Questions

What is the IUPAC name of imino-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)azanium?
The IUPAC name of imino-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)azanium (CID 6334003) is imino-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)azanium.
What is the SMILES notation for imino-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)azanium?
The canonical SMILES for imino-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)azanium is CC1=NN(c2ccccc2)C(=O)C1=[N+]=N.
What is the InChIKey of imino-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)azanium?
The InChIKey is PYLNRLOCUPJEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N4O/c1-7-9(12-11)10(15)14(13-7)8-5-3-2-4-6-8/h2-6,11H,1H3/q+1.
What are the key properties of imino-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)azanium?
imino-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)azanium has a molecular weight of 201.21 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imino-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)azanium is sourced from PubChem (CID 6334003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).