N'-[2-(2,6-dimethylphenoxy)acetyl]-5-phenylpyrazolidine-3-carbohydrazide

C20H24N4O3 — CID 84865575

IUPACN'-[2-(2,6-dimethylphenoxy)acetyl]-5-phenylpyrazolidine-3-carbohydrazide
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)C1CC(c2ccccc2)NN1
InChIInChI=1S/C20H24N4O3/c1-13-7-6-8-14(2)19(13)27-12-18(25)23-24-20(26)17-11-16(21-22-17)15-9-4-3-5-10-15/h3-10,16-17,21-22H,11-12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyOTIQYTFYOJHBDZ-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.44
Rot. Bonds5

About N'-[2-(2,6-dimethylphenoxy)acetyl]-5-phenylpyrazolidine-3-carbohydrazide

N'-[2-(2,6-dimethylphenoxy)acetyl]-5-phenylpyrazolidine-3-carbohydrazide (PubChem CID 84865575) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N'-[2-(2,6-dimethylphenoxy)acetyl]-5-phenylpyrazolidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,6-dimethylphenoxy)acetyl]-5-phenylpyrazolidine-3-carbohydrazide
PubChem CID84865575
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN'-[2-(2,6-dimethylphenoxy)acetyl]-5-phenylpyrazolidine-3-carbohydrazide
SMILESCc1cccc(C)c1OCC(=O)NNC(=O)C1CC(c2ccccc2)NN1
InChIInChI=1S/C20H24N4O3/c1-13-7-6-8-14(2)19(13)27-12-18(25)23-24-20(26)17-11-16(21-22-17)15-9-4-3-5-10-15/h3-10,16-17,21-22H,11-12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyOTIQYTFYOJHBDZ-UHFFFAOYSA-N
XLogP1.44
TPSA91.49 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.44
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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Related Compounds

N-ethyl-5-phenylpyrazolidine-3-carboxamide
CID 73487890
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
CID 4503699
N'-(2-methylfuran-3-carbonyl)-5-phenylpyrazolidine-3-carbohydrazide
CID 84865540
2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide
CID 116820679
N'-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-5-phenylpyrazolidine-3-carbohydrazide
CID 74769557
benzyl N-[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamate
CID 4935787
N-[2-(dimethylamino)-2-oxoethyl]-5-phenylpyrazolidine-3-carboxamide
CID 78640428
ethyl 4-[[(5-phenylpyrazolidine-3-carbonyl)amino]sulfamoyl]benzoate
CID 52975206
1-(oxolan-2-ylmethyl)-3-[(5-phenylpyrazolidine-3-carbonyl)amino]thiourea
CID 52991456
N-(3-fluorophenyl)-5-phenylpyrazolidine-3-carboxamide
CID 74713535
(E)-4-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
CID 6131518
N-(3-acetylphenyl)-5-phenylpyrazolidine-3-carboxamide
CID 84865436

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-5-phenylpyrazolidine-3-carbohydrazide?
The IUPAC name of N'-[2-(2,6-dimethylphenoxy)acetyl]-5-phenylpyrazolidine-3-carbohydrazide (CID 84865575) is N'-[2-(2,6-dimethylphenoxy)acetyl]-5-phenylpyrazolidine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2,6-dimethylphenoxy)acetyl]-5-phenylpyrazolidine-3-carbohydrazide?
The canonical SMILES for N'-[2-(2,6-dimethylphenoxy)acetyl]-5-phenylpyrazolidine-3-carbohydrazide is Cc1cccc(C)c1OCC(=O)NNC(=O)C1CC(c2ccccc2)NN1.
What is the InChIKey of N'-[2-(2,6-dimethylphenoxy)acetyl]-5-phenylpyrazolidine-3-carbohydrazide?
The InChIKey is OTIQYTFYOJHBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13-7-6-8-14(2)19(13)27-12-18(25)23-24-20(26)17-11-16(21-22-17)15-9-4-3-5-10-15/h3-10,16-17,21-22H,11-12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(2,6-dimethylphenoxy)acetyl]-5-phenylpyrazolidine-3-carbohydrazide?
N'-[2-(2,6-dimethylphenoxy)acetyl]-5-phenylpyrazolidine-3-carbohydrazide has a molecular weight of 368.44 g/mol, XLogP of 1.44, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,6-dimethylphenoxy)acetyl]-5-phenylpyrazolidine-3-carbohydrazide is sourced from PubChem (CID 84865575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).