2-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]acetic acid

C9H13N3O2 — CID 84733244

IUPAC2-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]acetic acid
SMILESCN1CC(n2cc(CC(=O)O)cn2)C1
InChIInChI=1S/C9H13N3O2/c1-11-5-8(6-11)12-4-7(3-10-12)2-9(13)14/h3-4,8H,2,5-6H2,1H3,(H,13,14)
InChIKeyBUKYBENXGNHYBS-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.00
Rot. Bonds3

About 2-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]acetic acid

2-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]acetic acid (PubChem CID 84733244) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]acetic acid
PubChem CID84733244
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]acetic acid
SMILESCN1CC(n2cc(CC(=O)O)cn2)C1
InChIInChI=1S/C9H13N3O2/c1-11-5-8(6-11)12-4-7(3-10-12)2-9(13)14/h3-4,8H,2,5-6H2,1H3,(H,13,14)
InChIKeyBUKYBENXGNHYBS-UHFFFAOYSA-N
XLogP-0.00
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1-ethylpyrrolidin-3-yl)pyrazol-4-yl]acetic acid
CID 105480595
2-[1-(thietan-3-yl)pyrazol-4-yl]acetic acid
CID 84733617
2-[1-(thiolan-2-yl)pyrazol-4-yl]acetic acid
CID 105466020
2-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]ethanol
CID 105449213
1-cyclopentyl-2-(1-methylpyrazol-4-yl)ethanone
CID 62127487
3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanoic acid
CID 129462871
1-(2,2-dimethylcyclopropyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 107003822
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]acetic acid
CID 107461871
3-[1-(azetidin-3-yl)pyrazol-4-yl]-2-methylpropanoic acid
CID 105462907
4-[4-(aminomethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
CID 84735443
2-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]acetic acid
CID 64616119
1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945570

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]acetic acid (CID 84733244) is 2-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]acetic acid is CN1CC(n2cc(CC(=O)O)cn2)C1.
What is the InChIKey of 2-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]acetic acid?
The InChIKey is BUKYBENXGNHYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-11-5-8(6-11)12-4-7(3-10-12)2-9(13)14/h3-4,8H,2,5-6H2,1H3,(H,13,14).
What are the key properties of 2-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]acetic acid?
2-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]acetic acid has a molecular weight of 195.22 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]acetic acid is sourced from PubChem (CID 84733244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).