2-(3-methylidene-5-oxopyrazolidin-4-yl)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide

C14H15N5O4 — CID 5216806

IUPAC2-(3-methylidene-5-oxopyrazolidin-4-yl)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide
SMILESC=C(NNC(=O)CC1C(=C)NNC1=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H15N5O4/c1-8(10-4-3-5-11(6-10)19(22)23)15-17-13(20)7-12-9(2)16-18-14(12)21/h3-6,12,15-16H,1-2,7H2,(H,17,20)(H,18,21)
InChIKeyYRIHMXQGNAEEDQ-UHFFFAOYSA-N
MW317.31 g/mol
LogP0.34
Rot. Bonds6

About 2-(3-methylidene-5-oxopyrazolidin-4-yl)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide

2-(3-methylidene-5-oxopyrazolidin-4-yl)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide (PubChem CID 5216806) has the molecular formula C14H15N5O4 and a molecular weight of 317.31 g/mol. Its IUPAC name is 2-(3-methylidene-5-oxopyrazolidin-4-yl)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide.

Molecular Properties

Compound Name2-(3-methylidene-5-oxopyrazolidin-4-yl)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide
PubChem CID5216806
Molecular FormulaC14H15N5O4
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC Name2-(3-methylidene-5-oxopyrazolidin-4-yl)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide
SMILESC=C(NNC(=O)CC1C(=C)NNC1=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H15N5O4/c1-8(10-4-3-5-11(6-10)19(22)23)15-17-13(20)7-12-9(2)16-18-14(12)21/h3-6,12,15-16H,1-2,7H2,(H,17,20)(H,18,21)
InChIKeyYRIHMXQGNAEEDQ-UHFFFAOYSA-N
XLogP0.34
TPSA125.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide
CID 5087058
2-(4-chlorophenoxy)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide
CID 4090907
2-morpholin-4-ium-4-yl-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide
CID 4069374
N'-(2-cyclopentylsulfanylacetyl)-3-nitrobenzohydrazide
CID 8763621
1-(3-nitrophenyl)ethenol
CID 12600881
3-nitrobenzoyl iodide
CID 87511250
2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 2875260
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589
N'-(3-methylbutanoyl)-3-nitrobenzohydrazide
CID 9333812
sodium;hydride;2-hydroxy-1-(3-nitrophenyl)ethanone
CID 174839141
N'-[1-(3-iodophenyl)ethenyl]-2-[(4-nitrophenyl)methylsulfanyl]acetohydrazide
CID 4226401
3-nitro-N-[7-[(3-nitrobenzoyl)amino]heptyl]benzamide
CID 3626830

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylidene-5-oxopyrazolidin-4-yl)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide?
The IUPAC name of 2-(3-methylidene-5-oxopyrazolidin-4-yl)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide (CID 5216806) is 2-(3-methylidene-5-oxopyrazolidin-4-yl)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide.
What is the SMILES notation for 2-(3-methylidene-5-oxopyrazolidin-4-yl)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide?
The canonical SMILES for 2-(3-methylidene-5-oxopyrazolidin-4-yl)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide is C=C(NNC(=O)CC1C(=C)NNC1=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(3-methylidene-5-oxopyrazolidin-4-yl)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide?
The InChIKey is YRIHMXQGNAEEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O4/c1-8(10-4-3-5-11(6-10)19(22)23)15-17-13(20)7-12-9(2)16-18-14(12)21/h3-6,12,15-16H,1-2,7H2,(H,17,20)(H,18,21).
What are the key properties of 2-(3-methylidene-5-oxopyrazolidin-4-yl)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide?
2-(3-methylidene-5-oxopyrazolidin-4-yl)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide has a molecular weight of 317.31 g/mol, XLogP of 0.34, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylidene-5-oxopyrazolidin-4-yl)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide is sourced from PubChem (CID 5216806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).