5-(4-bromophenyl)-N'-(2-chlorobenzoyl)pyrazolidine-3-carbohydrazide

C17H16BrClN4O2 — CID 74646841

IUPAC5-(4-bromophenyl)-N'-(2-chlorobenzoyl)pyrazolidine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CC(c2ccc(Br)cc2)NN1)c1ccccc1Cl
InChIInChI=1S/C17H16BrClN4O2/c18-11-7-5-10(6-8-11)14-9-15(21-20-14)17(25)23-22-16(24)12-3-1-2-4-13(12)19/h1-8,14-15,20-21H,9H2,(H,22,24)(H,23,25)
InChIKeyVPUQVIGKFOVVBJ-UHFFFAOYSA-N
MW423.70 g/mol
LogP2.47
Rot. Bonds3

About 5-(4-bromophenyl)-N'-(2-chlorobenzoyl)pyrazolidine-3-carbohydrazide

5-(4-bromophenyl)-N'-(2-chlorobenzoyl)pyrazolidine-3-carbohydrazide (PubChem CID 74646841) has the molecular formula C17H16BrClN4O2 and a molecular weight of 423.70 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N'-(2-chlorobenzoyl)pyrazolidine-3-carbohydrazide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N'-(2-chlorobenzoyl)pyrazolidine-3-carbohydrazide
PubChem CID74646841
Molecular FormulaC17H16BrClN4O2
Molecular Weight423.70 g/mol
Exact Mass422.01
IUPAC Name5-(4-bromophenyl)-N'-(2-chlorobenzoyl)pyrazolidine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CC(c2ccc(Br)cc2)NN1)c1ccccc1Cl
InChIInChI=1S/C17H16BrClN4O2/c18-11-7-5-10(6-8-11)14-9-15(21-20-14)17(25)23-22-16(24)12-3-1-2-4-13(12)19/h1-8,14-15,20-21H,9H2,(H,22,24)(H,23,25)
InChIKeyVPUQVIGKFOVVBJ-UHFFFAOYSA-N
XLogP2.47
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.70
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,6-dichloro-N'-(5-phenylpyrazolidine-3-carbonyl)pyridine-2-carbohydrazide
CID 134015284
5-bromo-2-chloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 35929301
5-(4-bromophenyl)-N-(4-phenoxyphenyl)pyrazolidine-3-carboxamide
CID 75085719
5-(4-bromophenyl)-N-(5-chloro-2-methylphenyl)pyrazolidine-3-carboxamide
CID 75606260
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-[4-[(2-chlorophenyl)methoxy]phenyl]pyrazolidine-3-carboxamide
CID 137272179
5-(4-bromophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide
CID 75283635
N'-[1-(4-bromophenyl)cyclopropanecarbonyl]-2-chlorobenzohydrazide
CID 134023828
5-(2-chlorophenyl)-N-methylpyrazolidine-3-carboxamide
CID 75973488
1-[[5-(4-methylphenyl)pyrazolidine-3-carbonyl]amino]-3-phenylthiourea
CID 78364812
5,7-dimethyl-N'-(5-phenylpyrazolidine-3-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 52987307
N-(2,5-dichlorophenyl)-5-phenylpyrazolidine-3-carboxamide
CID 122363085
N-(2-bromophenyl)-5-(2-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254786

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N'-(2-chlorobenzoyl)pyrazolidine-3-carbohydrazide?
The IUPAC name of 5-(4-bromophenyl)-N'-(2-chlorobenzoyl)pyrazolidine-3-carbohydrazide (CID 74646841) is 5-(4-bromophenyl)-N'-(2-chlorobenzoyl)pyrazolidine-3-carbohydrazide.
What is the SMILES notation for 5-(4-bromophenyl)-N'-(2-chlorobenzoyl)pyrazolidine-3-carbohydrazide?
The canonical SMILES for 5-(4-bromophenyl)-N'-(2-chlorobenzoyl)pyrazolidine-3-carbohydrazide is O=C(NNC(=O)C1CC(c2ccc(Br)cc2)NN1)c1ccccc1Cl.
What is the InChIKey of 5-(4-bromophenyl)-N'-(2-chlorobenzoyl)pyrazolidine-3-carbohydrazide?
The InChIKey is VPUQVIGKFOVVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN4O2/c18-11-7-5-10(6-8-11)14-9-15(21-20-14)17(25)23-22-16(24)12-3-1-2-4-13(12)19/h1-8,14-15,20-21H,9H2,(H,22,24)(H,23,25).
What are the key properties of 5-(4-bromophenyl)-N'-(2-chlorobenzoyl)pyrazolidine-3-carbohydrazide?
5-(4-bromophenyl)-N'-(2-chlorobenzoyl)pyrazolidine-3-carbohydrazide has a molecular weight of 423.70 g/mol, XLogP of 2.47, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N'-(2-chlorobenzoyl)pyrazolidine-3-carbohydrazide is sourced from PubChem (CID 74646841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).