N'-(4-nitrophenyl)-1H-pyrrole-3-carbohydrazide

C11H10N4O3 — CID 141450120

IUPACN'-(4-nitrophenyl)-1H-pyrrole-3-carbohydrazide
SMILESO=C(NNc1ccc([N+](=O)[O-])cc1)c1cc[nH]c1
InChIInChI=1S/C11H10N4O3/c16-11(8-5-6-12-7-8)14-13-9-1-3-10(4-2-9)15(17)18/h1-7,12-13H,(H,14,16)
InChIKeyWAKNUENUDNIUHY-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.68
Rot. Bonds4

About N'-(4-nitrophenyl)-1H-pyrrole-3-carbohydrazide

N'-(4-nitrophenyl)-1H-pyrrole-3-carbohydrazide (PubChem CID 141450120) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is N'-(4-nitrophenyl)-1H-pyrrole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-nitrophenyl)-1H-pyrrole-3-carbohydrazide
PubChem CID141450120
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC NameN'-(4-nitrophenyl)-1H-pyrrole-3-carbohydrazide
SMILESO=C(NNc1ccc([N+](=O)[O-])cc1)c1cc[nH]c1
InChIInChI=1S/C11H10N4O3/c16-11(8-5-6-12-7-8)14-13-9-1-3-10(4-2-9)15(17)18/h1-7,12-13H,(H,14,16)
InChIKeyWAKNUENUDNIUHY-UHFFFAOYSA-N
XLogP1.68
TPSA100.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-nitrophenyl)-(1H-pyrrol-3-yl)methanone
CID 10703913
N'-(4-nitrophenyl)pyridine-4-carbohydrazide
CID 21205889
3,5-dinitro-N'-phenylbenzohydrazide
CID 78774569
1-(4-nitrophenyl)-3-(1H-pyrrol-3-yl)thiourea
CID 141161787
3,4,5-trimethoxy-N'-(4-nitrophenyl)benzohydrazide
CID 3705652
2-[2-(4-nitrophenyl)hydrazinyl]-2-oxoacetic acid
CID 117061946
4-(3,5-dimethylpyrazol-1-yl)-N'-(4-nitrophenyl)benzohydrazide
CID 4862138
N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 22526827
(4-nitroanilino) carbonochloridate
CID 123545253
2-chloro-N-[(4-nitroanilino)carbamoyl]acetamide
CID 71375183
4-fluoro-N-[4-(4-nitrophenyl)phenyl]benzamide
CID 579434
N'-[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22526842

Frequently Asked Questions

What is the IUPAC name of N'-(4-nitrophenyl)-1H-pyrrole-3-carbohydrazide?
The IUPAC name of N'-(4-nitrophenyl)-1H-pyrrole-3-carbohydrazide (CID 141450120) is N'-(4-nitrophenyl)-1H-pyrrole-3-carbohydrazide.
What is the SMILES notation for N'-(4-nitrophenyl)-1H-pyrrole-3-carbohydrazide?
The canonical SMILES for N'-(4-nitrophenyl)-1H-pyrrole-3-carbohydrazide is O=C(NNc1ccc([N+](=O)[O-])cc1)c1cc[nH]c1.
What is the InChIKey of N'-(4-nitrophenyl)-1H-pyrrole-3-carbohydrazide?
The InChIKey is WAKNUENUDNIUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c16-11(8-5-6-12-7-8)14-13-9-1-3-10(4-2-9)15(17)18/h1-7,12-13H,(H,14,16).
What are the key properties of N'-(4-nitrophenyl)-1H-pyrrole-3-carbohydrazide?
N'-(4-nitrophenyl)-1H-pyrrole-3-carbohydrazide has a molecular weight of 246.23 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-nitrophenyl)-1H-pyrrole-3-carbohydrazide is sourced from PubChem (CID 141450120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).