(2E)-2-hydrazinylidene-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetaldehyde

C11H11N5O — CID 170633804

IUPAC(2E)-2-hydrazinylidene-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetaldehyde
SMILESCn1cc(-c2ccc(/C(C=O)=N\N)nc2)cn1
InChIInChI=1S/C11H11N5O/c1-16-6-9(5-14-16)8-2-3-10(13-4-8)11(7-17)15-12/h2-7H,12H2,1H3/b15-11-
InChIKeyIEUWYYGAZFJOKX-PTNGSMBKSA-N
MW229.24 g/mol
LogP0.34
Rot. Bonds3

About (2E)-2-hydrazinylidene-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetaldehyde

(2E)-2-hydrazinylidene-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetaldehyde (PubChem CID 170633804) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is (2E)-2-hydrazinylidene-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetaldehyde.

Molecular Properties

Compound Name(2E)-2-hydrazinylidene-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetaldehyde
PubChem CID170633804
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name(2E)-2-hydrazinylidene-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetaldehyde
SMILESCn1cc(-c2ccc(/C(C=O)=N\N)nc2)cn1
InChIInChI=1S/C11H11N5O/c1-16-6-9(5-14-16)8-2-3-10(13-4-8)11(7-17)15-12/h2-7H,12H2,1H3/b15-11-
InChIKeyIEUWYYGAZFJOKX-PTNGSMBKSA-N
XLogP0.34
TPSA86.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
4-(1-methylpyrazol-4-yl)benzene-1,2-diamine
CID 118693272
4-[4-(1-methylpyrazol-4-yl)-N-[4-(1-methylpyrazol-4-yl)phenyl]anilino]benzaldehyde
CID 155899056
5-[4-(1-methylpyrazol-4-yl)phenyl]furan-2-carbaldehyde
CID 169332573
N-methyl-6-(1-methylpyrazol-4-yl)isoquinoline-3-carboxamide
CID 168926334
5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-amine
CID 176983699
5-(1-ethylpyrazol-4-yl)pyridine-2-carboxylic acid
CID 62958306
2-methoxy-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde
CID 146640622
2-ethyl-4-(1-methylpyrazol-4-yl)aniline
CID 81288941
[4-(1-methylpyrazol-4-yl)phenyl]thiourea
CID 169356710
4-(4-methoxyphenyl)-1-methylpyrazole
CID 4101323
2-amino-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]thiophene-3-carboxamide
CID 59525995

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydrazinylidene-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetaldehyde?
The IUPAC name of (2E)-2-hydrazinylidene-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetaldehyde (CID 170633804) is (2E)-2-hydrazinylidene-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetaldehyde.
What is the SMILES notation for (2E)-2-hydrazinylidene-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetaldehyde?
The canonical SMILES for (2E)-2-hydrazinylidene-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetaldehyde is Cn1cc(-c2ccc(/C(C=O)=N\N)nc2)cn1.
What is the InChIKey of (2E)-2-hydrazinylidene-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetaldehyde?
The InChIKey is IEUWYYGAZFJOKX-PTNGSMBKSA-N. The full InChI is InChI=1S/C11H11N5O/c1-16-6-9(5-14-16)8-2-3-10(13-4-8)11(7-17)15-12/h2-7H,12H2,1H3/b15-11-.
What are the key properties of (2E)-2-hydrazinylidene-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetaldehyde?
(2E)-2-hydrazinylidene-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetaldehyde has a molecular weight of 229.24 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydrazinylidene-2-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetaldehyde is sourced from PubChem (CID 170633804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).