3,6-dichloro-N'-(5-phenylpyrazolidine-3-carbonyl)pyridine-2-carbohydrazide

C16H15Cl2N5O2 — CID 134015284

IUPAC3,6-dichloro-N'-(5-phenylpyrazolidine-3-carbonyl)pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)C1CC(c2ccccc2)NN1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl2N5O2/c17-10-6-7-13(18)19-14(10)16(25)23-22-15(24)12-8-11(20-21-12)9-4-2-1-3-5-9/h1-7,11-12,20-21H,8H2,(H,22,24)(H,23,25)
InChIKeyYZVKIIPTOWHTQP-UHFFFAOYSA-N
MW380.24 g/mol
LogP1.76
Rot. Bonds3

About 3,6-dichloro-N'-(5-phenylpyrazolidine-3-carbonyl)pyridine-2-carbohydrazide

3,6-dichloro-N'-(5-phenylpyrazolidine-3-carbonyl)pyridine-2-carbohydrazide (PubChem CID 134015284) has the molecular formula C16H15Cl2N5O2 and a molecular weight of 380.24 g/mol. Its IUPAC name is 3,6-dichloro-N'-(5-phenylpyrazolidine-3-carbonyl)pyridine-2-carbohydrazide.

Molecular Properties

Compound Name3,6-dichloro-N'-(5-phenylpyrazolidine-3-carbonyl)pyridine-2-carbohydrazide
PubChem CID134015284
Molecular FormulaC16H15Cl2N5O2
Molecular Weight380.24 g/mol
Exact Mass379.06
IUPAC Name3,6-dichloro-N'-(5-phenylpyrazolidine-3-carbonyl)pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)C1CC(c2ccccc2)NN1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl2N5O2/c17-10-6-7-13(18)19-14(10)16(25)23-22-15(24)12-8-11(20-21-12)9-4-2-1-3-5-9/h1-7,11-12,20-21H,8H2,(H,22,24)(H,23,25)
InChIKeyYZVKIIPTOWHTQP-UHFFFAOYSA-N
XLogP1.76
TPSA95.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-bromophenyl)-N'-(2-chlorobenzoyl)pyrazolidine-3-carbohydrazide
CID 74646841
N'-(2-methylfuran-3-carbonyl)-5-phenylpyrazolidine-3-carbohydrazide
CID 84865540
N-(2,5-dichlorophenyl)-5-phenylpyrazolidine-3-carboxamide
CID 122363085
5,7-dimethyl-N'-(5-phenylpyrazolidine-3-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 52987307
N-ethyl-5-phenylpyrazolidine-3-carboxamide
CID 73487890
N'-[2-(2,6-dimethylphenoxy)acetyl]-5-phenylpyrazolidine-3-carbohydrazide
CID 84865575
3,6-dichloro-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide
CID 104693580
N'-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-5-phenylpyrazolidine-3-carbohydrazide
CID 74769557
N-(3-butoxypropyl)-5-phenylpyrazolidine-3-carboxamide
CID 74537316
N-(3-hydroxy-2-pyridinyl)-5-phenylpyrazolidine-3-carboxamide
CID 52978373
N-(3-fluorophenyl)-5-phenylpyrazolidine-3-carboxamide
CID 74713535
N-[3-[[(5-phenylpyrazolidine-3-carbonyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 74537412

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N'-(5-phenylpyrazolidine-3-carbonyl)pyridine-2-carbohydrazide?
The IUPAC name of 3,6-dichloro-N'-(5-phenylpyrazolidine-3-carbonyl)pyridine-2-carbohydrazide (CID 134015284) is 3,6-dichloro-N'-(5-phenylpyrazolidine-3-carbonyl)pyridine-2-carbohydrazide.
What is the SMILES notation for 3,6-dichloro-N'-(5-phenylpyrazolidine-3-carbonyl)pyridine-2-carbohydrazide?
The canonical SMILES for 3,6-dichloro-N'-(5-phenylpyrazolidine-3-carbonyl)pyridine-2-carbohydrazide is O=C(NNC(=O)C1CC(c2ccccc2)NN1)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N'-(5-phenylpyrazolidine-3-carbonyl)pyridine-2-carbohydrazide?
The InChIKey is YZVKIIPTOWHTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5O2/c17-10-6-7-13(18)19-14(10)16(25)23-22-15(24)12-8-11(20-21-12)9-4-2-1-3-5-9/h1-7,11-12,20-21H,8H2,(H,22,24)(H,23,25).
What are the key properties of 3,6-dichloro-N'-(5-phenylpyrazolidine-3-carbonyl)pyridine-2-carbohydrazide?
3,6-dichloro-N'-(5-phenylpyrazolidine-3-carbonyl)pyridine-2-carbohydrazide has a molecular weight of 380.24 g/mol, XLogP of 1.76, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N'-(5-phenylpyrazolidine-3-carbonyl)pyridine-2-carbohydrazide is sourced from PubChem (CID 134015284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).