3-(1-ME-1H-Pyrrol-2-YL)-N'-(3-PH-2-propenylidene)-1H-pyrazole-5-carbohydrazide

HCID 6900541

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 307975-64-0
Standard SMILES: Cn1cccc1-c1cc(C(=O)N/N=C/C=C/c2ccccc2)[nH]n1
InChIKey: GERRQXCIZOVTMW-QJEBJFPOSA-N
Molecular formula: C18H17N5O
Average molar mass: 319.4 g/mol
Monoisotopic mass: 319.14331018

Names & identifiers

Preferred name: 3-(1-ME-1H-Pyrrol-2-YL)-N'-(3-PH-2-propenylidene)-1H-pyrazole-5-carbohydrazide
IUPAC: 3-(1-methylpyrrol-2-yl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
English name: 5-(1-methyl-1H-pyrrol-2-yl)-N'-[(1Z,2E)-3-phenylprop-2-en-1-ylidene]-1H-pyrazole-3-carbohydrazide
Molecular formula: C18H17N5O
Molecular weight: 319.36

Names & synonyms

307975-64-03-(1-ME-1H-PYRROL-2-YL)-N'-(3-PH-2-PROPENYLIDENE)-1H-PYRAZOLE-5-CARBOHYDRAZIDERefChem:489494652-702-75-(1-Methyl-1H-pyrrol-2-yl)-N'-(3-phenylallylidene)-1H-pyrazole-3-carbohydrazideMLS001018511CHEMBL3197755AKOS001026367SMR000354723SR-01000109401SR-01000109401-1Z56798005

Show more names

5-(1-methyl-1H-pyrrol-2-yl)-N'-[(1Z,2E)-3-phenylprop-2-en-1-ylidene]-1H-pyrazole-3-carbohydrazide1H-Pyrazole-3-carboxylic acid, 5-(1-methyl-1H-pyrrol-2-yl)-, 2-(3-phenyl-2-propen-1-ylidene)hydrazide

3-(1-methyl-1H-pyrrol-2-yl)-N'-(3-phenylprop-2-en-1-ylidene)-1H-pyrazole-5-carbohydrazide

Database identifiers

CAS: 307975-64-0
PubChem CID: 6900541
ChEMBL: CHEMBL3197755

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 75.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 472

Physicochemical properties

Density: 1.215 · 1.215±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka: 12.052 · 12.052±0.46(predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Suppliers1 total

西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…