N'-(2-methylfuran-3-carbonyl)-5-phenylpyrazolidine-3-carbohydrazide

C16H18N4O3 — CID 84865540

IUPACN'-(2-methylfuran-3-carbonyl)-5-phenylpyrazolidine-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)C1CC(c2ccccc2)NN1
InChIInChI=1S/C16H18N4O3/c1-10-12(7-8-23-10)15(21)19-20-16(22)14-9-13(17-18-14)11-5-3-2-4-6-11/h2-8,13-14,17-18H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyMRIGHYWYVBNWIZ-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.96
Rot. Bonds3

About N'-(2-methylfuran-3-carbonyl)-5-phenylpyrazolidine-3-carbohydrazide

N'-(2-methylfuran-3-carbonyl)-5-phenylpyrazolidine-3-carbohydrazide (PubChem CID 84865540) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N'-(2-methylfuran-3-carbonyl)-5-phenylpyrazolidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methylfuran-3-carbonyl)-5-phenylpyrazolidine-3-carbohydrazide
PubChem CID84865540
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN'-(2-methylfuran-3-carbonyl)-5-phenylpyrazolidine-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)C1CC(c2ccccc2)NN1
InChIInChI=1S/C16H18N4O3/c1-10-12(7-8-23-10)15(21)19-20-16(22)14-9-13(17-18-14)11-5-3-2-4-6-11/h2-8,13-14,17-18H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyMRIGHYWYVBNWIZ-UHFFFAOYSA-N
XLogP0.96
TPSA95.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.96
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'-(2-methylfuran-3-carbonyl)-5-phenylpyrazolidine-3-carbohydrazide?
The IUPAC name of N'-(2-methylfuran-3-carbonyl)-5-phenylpyrazolidine-3-carbohydrazide (CID 84865540) is N'-(2-methylfuran-3-carbonyl)-5-phenylpyrazolidine-3-carbohydrazide.
What is the SMILES notation for N'-(2-methylfuran-3-carbonyl)-5-phenylpyrazolidine-3-carbohydrazide?
The canonical SMILES for N'-(2-methylfuran-3-carbonyl)-5-phenylpyrazolidine-3-carbohydrazide is Cc1occc1C(=O)NNC(=O)C1CC(c2ccccc2)NN1.
What is the InChIKey of N'-(2-methylfuran-3-carbonyl)-5-phenylpyrazolidine-3-carbohydrazide?
The InChIKey is MRIGHYWYVBNWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-10-12(7-8-23-10)15(21)19-20-16(22)14-9-13(17-18-14)11-5-3-2-4-6-11/h2-8,13-14,17-18H,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(2-methylfuran-3-carbonyl)-5-phenylpyrazolidine-3-carbohydrazide?
N'-(2-methylfuran-3-carbonyl)-5-phenylpyrazolidine-3-carbohydrazide has a molecular weight of 314.35 g/mol, XLogP of 0.96, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylfuran-3-carbonyl)-5-phenylpyrazolidine-3-carbohydrazide is sourced from PubChem (CID 84865540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).