N'-(3-methyl-1-benzofuran-2-carbonyl)-3-phenylpyrazolidine-4-carbohydrazide

C20H20N4O3 — CID 74648803

IUPACN'-(3-methyl-1-benzofuran-2-carbonyl)-3-phenylpyrazolidine-4-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)C2CNNC2c2ccccc2)oc2ccccc12
InChIInChI=1S/C20H20N4O3/c1-12-14-9-5-6-10-16(14)27-18(12)20(26)24-23-19(25)15-11-21-22-17(15)13-7-3-2-4-8-13/h2-10,15,17,21-22H,11H2,1H3,(H,23,25)(H,24,26)
InChIKeyOQJNUSQFZBKCFT-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.97
Rot. Bonds3

About N'-(3-methyl-1-benzofuran-2-carbonyl)-3-phenylpyrazolidine-4-carbohydrazide

N'-(3-methyl-1-benzofuran-2-carbonyl)-3-phenylpyrazolidine-4-carbohydrazide (PubChem CID 74648803) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N'-(3-methyl-1-benzofuran-2-carbonyl)-3-phenylpyrazolidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methyl-1-benzofuran-2-carbonyl)-3-phenylpyrazolidine-4-carbohydrazide
PubChem CID74648803
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN'-(3-methyl-1-benzofuran-2-carbonyl)-3-phenylpyrazolidine-4-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)C2CNNC2c2ccccc2)oc2ccccc12
InChIInChI=1S/C20H20N4O3/c1-12-14-9-5-6-10-16(14)27-18(12)20(26)24-23-19(25)15-11-21-22-17(15)13-7-3-2-4-8-13/h2-10,15,17,21-22H,11H2,1H3,(H,23,25)(H,24,26)
InChIKeyOQJNUSQFZBKCFT-UHFFFAOYSA-N
XLogP1.97
TPSA95.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-methyl-1-benzofuran-2-carbonyl)-3-phenylpyrazolidine-4-carbohydrazide?
The IUPAC name of N'-(3-methyl-1-benzofuran-2-carbonyl)-3-phenylpyrazolidine-4-carbohydrazide (CID 74648803) is N'-(3-methyl-1-benzofuran-2-carbonyl)-3-phenylpyrazolidine-4-carbohydrazide.
What is the SMILES notation for N'-(3-methyl-1-benzofuran-2-carbonyl)-3-phenylpyrazolidine-4-carbohydrazide?
The canonical SMILES for N'-(3-methyl-1-benzofuran-2-carbonyl)-3-phenylpyrazolidine-4-carbohydrazide is Cc1c(C(=O)NNC(=O)C2CNNC2c2ccccc2)oc2ccccc12.
What is the InChIKey of N'-(3-methyl-1-benzofuran-2-carbonyl)-3-phenylpyrazolidine-4-carbohydrazide?
The InChIKey is OQJNUSQFZBKCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-12-14-9-5-6-10-16(14)27-18(12)20(26)24-23-19(25)15-11-21-22-17(15)13-7-3-2-4-8-13/h2-10,15,17,21-22H,11H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-(3-methyl-1-benzofuran-2-carbonyl)-3-phenylpyrazolidine-4-carbohydrazide?
N'-(3-methyl-1-benzofuran-2-carbonyl)-3-phenylpyrazolidine-4-carbohydrazide has a molecular weight of 364.41 g/mol, XLogP of 1.97, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methyl-1-benzofuran-2-carbonyl)-3-phenylpyrazolidine-4-carbohydrazide is sourced from PubChem (CID 74648803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).