5-(3-methoxyphenyl)pyrazolidine-3-carbohydrazide

C11H16N4O2 — CID 78349199

IUPAC5-(3-methoxyphenyl)pyrazolidine-3-carbohydrazide
SMILESCOc1cccc(C2CC(C(=O)NN)NN2)c1
InChIInChI=1S/C11H16N4O2/c1-17-8-4-2-3-7(5-8)9-6-10(15-14-9)11(16)13-12/h2-5,9-10,14-15H,6,12H2,1H3,(H,13,16)
InChIKeyXKEWLERTGPBPGT-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.41
Rot. Bonds3

About 5-(3-methoxyphenyl)pyrazolidine-3-carbohydrazide

5-(3-methoxyphenyl)pyrazolidine-3-carbohydrazide (PubChem CID 78349199) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)pyrazolidine-3-carbohydrazide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)pyrazolidine-3-carbohydrazide
PubChem CID78349199
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name5-(3-methoxyphenyl)pyrazolidine-3-carbohydrazide
SMILESCOc1cccc(C2CC(C(=O)NN)NN2)c1
InChIInChI=1S/C11H16N4O2/c1-17-8-4-2-3-7(5-8)9-6-10(15-14-9)11(16)13-12/h2-5,9-10,14-15H,6,12H2,1H3,(H,13,16)
InChIKeyXKEWLERTGPBPGT-UHFFFAOYSA-N
XLogP-0.41
TPSA88.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234366
N-[(2-chloro-4-fluorophenyl)methyl]-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75255262
N-[4-(diethylamino)-2-methylphenyl]-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75254957
5-(3-methoxyphenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide
CID 118704712
N-(2,4-dimethoxyphenyl)-5-phenylpyrazolidine-3-carboxamide
CID 74523011
ethyl 3-[[4-[5-(3-methoxyphenyl)pyrazolidin-3-yl]benzoyl]amino]propanoate
CID 74840270
[5-(3-methoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 75234418
5-[4-(2-methylpropoxy)phenyl]pyrazolidine-3-carbohydrazide
CID 78211548
N-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234345
N-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
CID 75283665
N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide
CID 178189290
methyl 5-(3-methoxyphenyl)thiomorpholine-3-carboxylate
CID 65171376

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)pyrazolidine-3-carbohydrazide?
The IUPAC name of 5-(3-methoxyphenyl)pyrazolidine-3-carbohydrazide (CID 78349199) is 5-(3-methoxyphenyl)pyrazolidine-3-carbohydrazide.
What is the SMILES notation for 5-(3-methoxyphenyl)pyrazolidine-3-carbohydrazide?
The canonical SMILES for 5-(3-methoxyphenyl)pyrazolidine-3-carbohydrazide is COc1cccc(C2CC(C(=O)NN)NN2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)pyrazolidine-3-carbohydrazide?
The InChIKey is XKEWLERTGPBPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-17-8-4-2-3-7(5-8)9-6-10(15-14-9)11(16)13-12/h2-5,9-10,14-15H,6,12H2,1H3,(H,13,16).
What are the key properties of 5-(3-methoxyphenyl)pyrazolidine-3-carbohydrazide?
5-(3-methoxyphenyl)pyrazolidine-3-carbohydrazide has a molecular weight of 236.28 g/mol, XLogP of -0.41, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)pyrazolidine-3-carbohydrazide is sourced from PubChem (CID 78349199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).