1-(5-phenylpyrazolidine-3-carbonyl)pyrrolidine-3-carboxylic acid

C15H19N3O3 — CID 76985388

IUPAC1-(5-phenylpyrazolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2CC(c3ccccc3)NN2)C1
InChIInChI=1S/C15H19N3O3/c19-14(18-7-6-11(9-18)15(20)21)13-8-12(16-17-13)10-4-2-1-3-5-10/h1-5,11-13,16-17H,6-9H2,(H,20,21)
InChIKeyHRCHSTASNFUPEC-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.53
Rot. Bonds3

About 1-(5-phenylpyrazolidine-3-carbonyl)pyrrolidine-3-carboxylic acid

1-(5-phenylpyrazolidine-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 76985388) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(5-phenylpyrazolidine-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-phenylpyrazolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID76985388
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-(5-phenylpyrazolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2CC(c3ccccc3)NN2)C1
InChIInChI=1S/C15H19N3O3/c19-14(18-7-6-11(9-18)15(20)21)13-8-12(16-17-13)10-4-2-1-3-5-10/h1-5,11-13,16-17H,6-9H2,(H,20,21)
InChIKeyHRCHSTASNFUPEC-UHFFFAOYSA-N
XLogP0.53
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52973016
1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 52987096
(5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 133110178
(5-phenylpyrazolidin-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 133269656
(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone
CID 77115341
3-[1-(5-pyridin-4-ylpyrazolidine-3-carbonyl)piperidin-3-yl]benzoic acid
CID 134081008
(5-phenylpyrazolidin-3-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 44509797
2,3-dihydroindol-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52990007
[4-(4-ethylbenzoyl)piperazin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone
CID 52987319
[5-(3-chlorophenyl)pyrazolidin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 75138331
[5-(2-chlorophenyl)pyrazolidin-3-yl]-piperidin-1-ylmethanone
CID 74623681
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenylpyrazolidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(5-phenylpyrazolidine-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 76985388) is 1-(5-phenylpyrazolidine-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-phenylpyrazolidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(5-phenylpyrazolidine-3-carbonyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)C2CC(c3ccccc3)NN2)C1.
What is the InChIKey of 1-(5-phenylpyrazolidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is HRCHSTASNFUPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-14(18-7-6-11(9-18)15(20)21)13-8-12(16-17-13)10-4-2-1-3-5-10/h1-5,11-13,16-17H,6-9H2,(H,20,21).
What are the key properties of 1-(5-phenylpyrazolidine-3-carbonyl)pyrrolidine-3-carboxylic acid?
1-(5-phenylpyrazolidine-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenylpyrazolidine-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 76985388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).