1-[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]azetidine-2-carboxylic acid

C14H17N3O4 — CID 134080636

IUPAC1-[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]azetidine-2-carboxylic acid
SMILESO=C(O)C1CCN1C(=O)C1CC(c2ccc(O)cc2)NN1
InChIInChI=1S/C14H17N3O4/c18-9-3-1-8(2-4-9)10-7-11(16-15-10)13(19)17-6-5-12(17)14(20)21/h1-4,10-12,15-16,18H,5-7H2,(H,20,21)
InChIKeyNMMHBKLFFMHTMS-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.01
Rot. Bonds3

About 1-[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]azetidine-2-carboxylic acid

1-[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]azetidine-2-carboxylic acid (PubChem CID 134080636) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]azetidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]azetidine-2-carboxylic acid
PubChem CID134080636
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name1-[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]azetidine-2-carboxylic acid
SMILESO=C(O)C1CCN1C(=O)C1CC(c2ccc(O)cc2)NN1
InChIInChI=1S/C14H17N3O4/c18-9-3-1-8(2-4-9)10-7-11(16-15-10)13(19)17-6-5-12(17)14(20)21/h1-4,10-12,15-16,18H,5-7H2,(H,20,21)
InChIKeyNMMHBKLFFMHTMS-UHFFFAOYSA-N
XLogP-0.01
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]azetidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52973016
1-(5-phenylpyrazolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 76985388
[5-(4-hydroxyphenyl)pyrazolidin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 134079807
(2-ethylpiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone
CID 52989207
1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 52987096
(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone
CID 77115341
5-(4-hydroxyphenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrazolidine-3-carboxamide
CID 134080957
5-(4-hydroxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolidine-3-carboxamide
CID 134080246
2,3-dihydroindol-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52990007
3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone
CID 75605811
5-(4-hydroxyphenyl)-N-[2-(pyridin-3-ylamino)ethyl]pyrazolidine-3-carboxamide
CID 134077005
1-[2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]ethyl]piperidine-3-carboxamide
CID 134080643

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]azetidine-2-carboxylic acid?
The IUPAC name of 1-[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]azetidine-2-carboxylic acid (CID 134080636) is 1-[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]azetidine-2-carboxylic acid.
What is the SMILES notation for 1-[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]azetidine-2-carboxylic acid?
The canonical SMILES for 1-[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]azetidine-2-carboxylic acid is O=C(O)C1CCN1C(=O)C1CC(c2ccc(O)cc2)NN1.
What is the InChIKey of 1-[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]azetidine-2-carboxylic acid?
The InChIKey is NMMHBKLFFMHTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c18-9-3-1-8(2-4-9)10-7-11(16-15-10)13(19)17-6-5-12(17)14(20)21/h1-4,10-12,15-16,18H,5-7H2,(H,20,21).
What are the key properties of 1-[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]azetidine-2-carboxylic acid?
1-[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]azetidine-2-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of -0.01, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]azetidine-2-carboxylic acid is sourced from PubChem (CID 134080636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).