4-(2,5-dimethylpyrrol-1-yl)-N'-[1-(1H-pyrrol-2-yl)ethenyl]benzohydrazide

C19H20N4O — CID 2348439

IUPAC4-(2,5-dimethylpyrrol-1-yl)-N'-[1-(1H-pyrrol-2-yl)ethenyl]benzohydrazide
SMILESC=C(NNC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccc[nH]1
InChIInChI=1S/C19H20N4O/c1-13-6-7-14(2)23(13)17-10-8-16(9-11-17)19(24)22-21-15(3)18-5-4-12-20-18/h4-12,20-21H,3H2,1-2H3,(H,22,24)
InChIKeyHIHHJUIVWQRVGP-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.33
Rot. Bonds5

About 4-(2,5-dimethylpyrrol-1-yl)-N'-[1-(1H-pyrrol-2-yl)ethenyl]benzohydrazide

4-(2,5-dimethylpyrrol-1-yl)-N'-[1-(1H-pyrrol-2-yl)ethenyl]benzohydrazide (PubChem CID 2348439) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrrol-1-yl)-N'-[1-(1H-pyrrol-2-yl)ethenyl]benzohydrazide.

Molecular Properties

Compound Name4-(2,5-dimethylpyrrol-1-yl)-N'-[1-(1H-pyrrol-2-yl)ethenyl]benzohydrazide
PubChem CID2348439
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name4-(2,5-dimethylpyrrol-1-yl)-N'-[1-(1H-pyrrol-2-yl)ethenyl]benzohydrazide
SMILESC=C(NNC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccc[nH]1
InChIInChI=1S/C19H20N4O/c1-13-6-7-14(2)23(13)17-10-8-16(9-11-17)19(24)22-21-15(3)18-5-4-12-20-18/h4-12,20-21H,3H2,1-2H3,(H,22,24)
InChIKeyHIHHJUIVWQRVGP-UHFFFAOYSA-N
XLogP3.33
TPSA61.85 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone
CID 146425021
N-cyclopropyl-2-[2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]hydrazinyl]-2-oxoacetamide
CID 134008259
1-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]-3-(4-methylphenyl)thiourea
CID 2728279
4-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxyethyl)benzamide
CID 30281157
N'-(4-butylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 8968206
[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 17260334
4-(2,5-dimethylpyrrol-1-yl)-N-[2-(methanesulfonamido)ethyl]benzamide
CID 36908727
N-(3-acetylphenyl)-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 4785014
4-(2,5-dimethylpyrrol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 2576736
[1-[2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
CID 42905279
N'-(3-pyrrol-1-ylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 78815877
N'-(3-methoxy-4-prop-2-enoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 78829676

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N'-[1-(1H-pyrrol-2-yl)ethenyl]benzohydrazide?
The IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N'-[1-(1H-pyrrol-2-yl)ethenyl]benzohydrazide (CID 2348439) is 4-(2,5-dimethylpyrrol-1-yl)-N'-[1-(1H-pyrrol-2-yl)ethenyl]benzohydrazide.
What is the SMILES notation for 4-(2,5-dimethylpyrrol-1-yl)-N'-[1-(1H-pyrrol-2-yl)ethenyl]benzohydrazide?
The canonical SMILES for 4-(2,5-dimethylpyrrol-1-yl)-N'-[1-(1H-pyrrol-2-yl)ethenyl]benzohydrazide is C=C(NNC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccc[nH]1.
What is the InChIKey of 4-(2,5-dimethylpyrrol-1-yl)-N'-[1-(1H-pyrrol-2-yl)ethenyl]benzohydrazide?
The InChIKey is HIHHJUIVWQRVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13-6-7-14(2)23(13)17-10-8-16(9-11-17)19(24)22-21-15(3)18-5-4-12-20-18/h4-12,20-21H,3H2,1-2H3,(H,22,24).
What are the key properties of 4-(2,5-dimethylpyrrol-1-yl)-N'-[1-(1H-pyrrol-2-yl)ethenyl]benzohydrazide?
4-(2,5-dimethylpyrrol-1-yl)-N'-[1-(1H-pyrrol-2-yl)ethenyl]benzohydrazide has a molecular weight of 320.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrrol-1-yl)-N'-[1-(1H-pyrrol-2-yl)ethenyl]benzohydrazide is sourced from PubChem (CID 2348439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).