3-(5-amino-1-cyclohexylpyrazol-3-yl)azetidine-1-carboxylic acid

C13H20N4O2 — CID 129024118

IUPAC3-(5-amino-1-cyclohexylpyrazol-3-yl)azetidine-1-carboxylic acid
SMILESNc1cc(C2CN(C(=O)O)C2)nn1C1CCCCC1
InChIInChI=1S/C13H20N4O2/c14-12-6-11(9-7-16(8-9)13(18)19)15-17(12)10-4-2-1-3-5-10/h6,9-10H,1-5,7-8,14H2,(H,18,19)
InChIKeyJGQNGLHKIVNKCJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.05
Rot. Bonds2

About 3-(5-amino-1-cyclohexylpyrazol-3-yl)azetidine-1-carboxylic acid

3-(5-amino-1-cyclohexylpyrazol-3-yl)azetidine-1-carboxylic acid (PubChem CID 129024118) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(5-amino-1-cyclohexylpyrazol-3-yl)azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(5-amino-1-cyclohexylpyrazol-3-yl)azetidine-1-carboxylic acid
PubChem CID129024118
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-(5-amino-1-cyclohexylpyrazol-3-yl)azetidine-1-carboxylic acid
SMILESNc1cc(C2CN(C(=O)O)C2)nn1C1CCCCC1
InChIInChI=1S/C13H20N4O2/c14-12-6-11(9-7-16(8-9)13(18)19)15-17(12)10-4-2-1-3-5-10/h6,9-10H,1-5,7-8,14H2,(H,18,19)
InChIKeyJGQNGLHKIVNKCJ-UHFFFAOYSA-N
XLogP2.05
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1-cyclohexylpyrazol-3-yl)azetidine-1-carboxylic acid?
The IUPAC name of 3-(5-amino-1-cyclohexylpyrazol-3-yl)azetidine-1-carboxylic acid (CID 129024118) is 3-(5-amino-1-cyclohexylpyrazol-3-yl)azetidine-1-carboxylic acid.
What is the SMILES notation for 3-(5-amino-1-cyclohexylpyrazol-3-yl)azetidine-1-carboxylic acid?
The canonical SMILES for 3-(5-amino-1-cyclohexylpyrazol-3-yl)azetidine-1-carboxylic acid is Nc1cc(C2CN(C(=O)O)C2)nn1C1CCCCC1.
What is the InChIKey of 3-(5-amino-1-cyclohexylpyrazol-3-yl)azetidine-1-carboxylic acid?
The InChIKey is JGQNGLHKIVNKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c14-12-6-11(9-7-16(8-9)13(18)19)15-17(12)10-4-2-1-3-5-10/h6,9-10H,1-5,7-8,14H2,(H,18,19).
What are the key properties of 3-(5-amino-1-cyclohexylpyrazol-3-yl)azetidine-1-carboxylic acid?
3-(5-amino-1-cyclohexylpyrazol-3-yl)azetidine-1-carboxylic acid has a molecular weight of 264.33 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1-cyclohexylpyrazol-3-yl)azetidine-1-carboxylic acid is sourced from PubChem (CID 129024118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).