N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide

C18H17N5O3 — CID 2403352

IUPACN'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(=O)[nH]n2)c(C)n1-c1ccccc1
InChIInChI=1S/C18H17N5O3/c1-11-10-14(12(2)23(11)13-6-4-3-5-7-13)17(25)21-22-18(26)15-8-9-16(24)20-19-15/h3-10H,1-2H3,(H,20,24)(H,21,25)(H,22,26)
InChIKeyWKHNLHBLUYYGSI-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.25
Rot. Bonds3

About N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide

N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide (PubChem CID 2403352) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide
PubChem CID2403352
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC NameN'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2ccc(=O)[nH]n2)c(C)n1-c1ccccc1
InChIInChI=1S/C18H17N5O3/c1-11-10-14(12(2)23(11)13-6-4-3-5-7-13)17(25)21-22-18(26)15-8-9-16(24)20-19-15/h3-10H,1-2H3,(H,20,24)(H,21,25)(H,22,26)
InChIKeyWKHNLHBLUYYGSI-UHFFFAOYSA-N
XLogP1.25
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

4-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]carbamoyl]benzamide
CID 27683580
N'-(2-bromobenzoyl)-6-oxo-1H-pyridazine-3-carbohydrazide
CID 29264522
methyl 4-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]carbamoyl]benzoate
CID 40714036
N'-(3,4-difluorobenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 40673432
N'-(3,5-dimethoxy-4-methylbenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 30475355
2,5-dimethyl-1-phenyl-N'-(3-phenylpropanoyl)pyrrole-3-carbohydrazide
CID 40714000
N'-(2-ethoxybenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 27683540
N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide
CID 34058388
N'-(bicyclo[2.2.1]hept-5-ene-2-carbonyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 3481962
methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 14611450
2,5-dimethyl-1-phenyl-N-phenylmethoxypyrrole-3-carboxamide
CID 32577143
N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 86822848

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide?
The IUPAC name of N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide (CID 2403352) is N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide.
What is the SMILES notation for N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide?
The canonical SMILES for N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2ccc(=O)[nH]n2)c(C)n1-c1ccccc1.
What is the InChIKey of N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide?
The InChIKey is WKHNLHBLUYYGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-11-10-14(12(2)23(11)13-6-4-3-5-7-13)17(25)21-22-18(26)15-8-9-16(24)20-19-15/h3-10H,1-2H3,(H,20,24)(H,21,25)(H,22,26).
What are the key properties of N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide?
N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide has a molecular weight of 351.37 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide is sourced from PubChem (CID 2403352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).