methyl 4-phenylpyrazolidine-3-carboxylate

C11H14N2O2 — CID 73198673

IUPACmethyl 4-phenylpyrazolidine-3-carboxylate
SMILESCOC(=O)C1NNCC1c1ccccc1
InChIInChI=1S/C11H14N2O2/c1-15-11(14)10-9(7-12-13-10)8-5-3-2-4-6-8/h2-6,9-10,12-13H,7H2,1H3
InChIKeyCAILLSSLSLJXSM-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.42
Rot. Bonds2

About methyl 4-phenylpyrazolidine-3-carboxylate

methyl 4-phenylpyrazolidine-3-carboxylate (PubChem CID 73198673) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is methyl 4-phenylpyrazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-phenylpyrazolidine-3-carboxylate
PubChem CID73198673
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Namemethyl 4-phenylpyrazolidine-3-carboxylate
SMILESCOC(=O)C1NNCC1c1ccccc1
InChIInChI=1S/C11H14N2O2/c1-15-11(14)10-9(7-12-13-10)8-5-3-2-4-6-8/h2-6,9-10,12-13H,7H2,1H3
InChIKeyCAILLSSLSLJXSM-UHFFFAOYSA-N
XLogP0.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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dimethyl 5-phenyl-1,4,5,6-tetrahydropyridazine-3,6-dicarboxylate
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methyl 4-phenylimidazolidine-2-carboxylate
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methyl 4-bromo-5-phenylpyrazolidine-3-carboxylate
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methyl (4S,5S)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
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methyl (2S,3S)-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
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methyl (1S,3R,3aS,6aR)-6-oxo-1-phenyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate
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methyl 3-(4-benzoylphenyl)pyrazolidine-4-carboxylate
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methyl 2-methylidene-6-oxo-4-phenylpiperidine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 4-phenylpyrazolidine-3-carboxylate?
The IUPAC name of methyl 4-phenylpyrazolidine-3-carboxylate (CID 73198673) is methyl 4-phenylpyrazolidine-3-carboxylate.
What is the SMILES notation for methyl 4-phenylpyrazolidine-3-carboxylate?
The canonical SMILES for methyl 4-phenylpyrazolidine-3-carboxylate is COC(=O)C1NNCC1c1ccccc1.
What is the InChIKey of methyl 4-phenylpyrazolidine-3-carboxylate?
The InChIKey is CAILLSSLSLJXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-15-11(14)10-9(7-12-13-10)8-5-3-2-4-6-8/h2-6,9-10,12-13H,7H2,1H3.
What are the key properties of methyl 4-phenylpyrazolidine-3-carboxylate?
methyl 4-phenylpyrazolidine-3-carboxylate has a molecular weight of 206.25 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-phenylpyrazolidine-3-carboxylate is sourced from PubChem (CID 73198673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).