3-(2-pyrazol-1-ylethyl)azetidine-1-carboxylic acid

C9H13N3O2 — CID 151886257

IUPAC3-(2-pyrazol-1-ylethyl)azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(CCn2cccn2)C1
InChIInChI=1S/C9H13N3O2/c13-9(14)11-6-8(7-11)2-5-12-4-1-3-10-12/h1,3-4,8H,2,5-7H2,(H,13,14)
InChIKeySPTORKMFLBSNFJ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.88
Rot. Bonds3

About 3-(2-pyrazol-1-ylethyl)azetidine-1-carboxylic acid

3-(2-pyrazol-1-ylethyl)azetidine-1-carboxylic acid (PubChem CID 151886257) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(2-pyrazol-1-ylethyl)azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-pyrazol-1-ylethyl)azetidine-1-carboxylic acid
PubChem CID151886257
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-(2-pyrazol-1-ylethyl)azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(CCn2cccn2)C1
InChIInChI=1S/C9H13N3O2/c13-9(14)11-6-8(7-11)2-5-12-4-1-3-10-12/h1,3-4,8H,2,5-7H2,(H,13,14)
InChIKeySPTORKMFLBSNFJ-UHFFFAOYSA-N
XLogP0.88
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-pyrazol-1-ylethyl)azetidine-1-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

3-(pyrazol-1-ylmethyl)piperidine-1-carboxylic acid
CID 135149499
1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 119410423
1-[2-(oxan-4-yl)ethyl]pyrazole
CID 131203572
(2-phenylphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70788820
3-(2-hydroxyethyl)azetidine-1-carboxylic acid
CID 89421066
3-(hydroxymethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 110895928
1-propan-2-yl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 70781458
(4R)-1-tert-butyl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 97126858
(3R,4S)-1-(2-pyrazol-1-ylethyl)pyrrolidine-3,4-diol
CID 115278412
1-[2-(1,3-dioxan-2-yl)ethyl]pyrazole
CID 66474739
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 62349582
(4-methylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70758865

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrazol-1-ylethyl)azetidine-1-carboxylic acid?
The IUPAC name of 3-(2-pyrazol-1-ylethyl)azetidine-1-carboxylic acid (CID 151886257) is 3-(2-pyrazol-1-ylethyl)azetidine-1-carboxylic acid.
What is the SMILES notation for 3-(2-pyrazol-1-ylethyl)azetidine-1-carboxylic acid?
The canonical SMILES for 3-(2-pyrazol-1-ylethyl)azetidine-1-carboxylic acid is O=C(O)N1CC(CCn2cccn2)C1.
What is the InChIKey of 3-(2-pyrazol-1-ylethyl)azetidine-1-carboxylic acid?
The InChIKey is SPTORKMFLBSNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-9(14)11-6-8(7-11)2-5-12-4-1-3-10-12/h1,3-4,8H,2,5-7H2,(H,13,14).
What are the key properties of 3-(2-pyrazol-1-ylethyl)azetidine-1-carboxylic acid?
3-(2-pyrazol-1-ylethyl)azetidine-1-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrazol-1-ylethyl)azetidine-1-carboxylic acid is sourced from PubChem (CID 151886257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).