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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Related Compounds

(2R)-2-[5-amino-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxylic acid
CID 154036019
1-[2-[5-Amino-1-(2-methylpropyl)pyrazol-3-yl]ethyl]-3-methylurea
CID 57637017
1-[2-(5-Amino-1-cyclohexylpyrazol-3-yl)ethyl]-3-methylurea
CID 57637062
tert-butyl 5-amino-3-(1-(tert-butoxycarbonyl)azetidin-3-yl)-1H-pyrazole-1-carboxylate
CID 58044233
1-Cyclohexyl-3-isopropyl-1H-pyrazol-5-amine
CID 61271249
Tert-butyl 4-(5-amino-1-isopropyl-1H-pyrazol-3-YL)piperidine-1-carboxylate
CID 89823856
(2S)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid
CID 90233480
tert-butyl 4-(3-amino-1-isopropyl-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 90292805
(3-Tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamic acid
CID 91237559
3-(5-Amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid
CID 91366166
tert-butyl 3-(5-amino-3-cyclopropyl-1H-pyrazol-1-yl)azetidine-1-carboxylate
CID 118340773
Tert-butyl 4-(5-amino-1-cyclobutyl-1H-pyrazol-3-yl)piperidine-1-carboxylate
CID 118936387

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).