3-[3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazol-4-yl]propanoic acid

C12H19N3O2 — CID 105499204

IUPAC3-[3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazol-4-yl]propanoic acid
SMILESCc1nn(C2CN(C)C2)c(C)c1CCC(=O)O
InChIInChI=1S/C12H19N3O2/c1-8-11(4-5-12(16)17)9(2)15(13-8)10-6-14(3)7-10/h10H,4-7H2,1-3H3,(H,16,17)
InChIKeyIVDWYVISVLSSGR-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.00
Rot. Bonds4

About 3-[3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazol-4-yl]propanoic acid

3-[3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazol-4-yl]propanoic acid (PubChem CID 105499204) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazol-4-yl]propanoic acid
PubChem CID105499204
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazol-4-yl]propanoic acid
SMILESCc1nn(C2CN(C)C2)c(C)c1CCC(=O)O
InChIInChI=1S/C12H19N3O2/c1-8-11(4-5-12(16)17)9(2)15(13-8)10-6-14(3)7-10/h10H,4-7H2,1-3H3,(H,16,17)
InChIKeyIVDWYVISVLSSGR-UHFFFAOYSA-N
XLogP1.00
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 16789231
3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazole-4-carboxylic acid
CID 105462921
3-(1-carbamoyl-3,5-dimethylpyrazol-4-yl)propanoic acid
CID 71429717
2-(1-cyclopropyl-3,5-dimethylpyrazol-4-yl)ethanol
CID 105438944
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoic acid
CID 783981
2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanamine
CID 105498199
3-[1-(3,5-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 43542554
2-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanol
CID 105498185
3-(1-cycloheptyl-4,6-dimethyl-2-oxopyrimidin-5-yl)propanoic acid
CID 43346221
3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 16796125
3-[3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-yl]propan-1-ol
CID 105482134
3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanoic acid
CID 65295795

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazol-4-yl]propanoic acid?
The IUPAC name of 3-[3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazol-4-yl]propanoic acid (CID 105499204) is 3-[3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazol-4-yl]propanoic acid?
The canonical SMILES for 3-[3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazol-4-yl]propanoic acid is Cc1nn(C2CN(C)C2)c(C)c1CCC(=O)O.
What is the InChIKey of 3-[3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazol-4-yl]propanoic acid?
The InChIKey is IVDWYVISVLSSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-11(4-5-12(16)17)9(2)15(13-8)10-6-14(3)7-10/h10H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 3-[3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazol-4-yl]propanoic acid?
3-[3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazol-4-yl]propanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazol-4-yl]propanoic acid is sourced from PubChem (CID 105499204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).