1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxylic acid

C11H11N5O2 — CID 119106397

IUPAC1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(c2cc(-n3cccn3)ncn2)C1
InChIInChI=1S/C11H11N5O2/c17-11(18)8-5-15(6-8)9-4-10(13-7-12-9)16-3-1-2-14-16/h1-4,7-8H,5-6H2,(H,17,18)
InChIKeyGGKXTEHMYYBSBX-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.18
Rot. Bonds3

About 1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxylic acid

1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxylic acid (PubChem CID 119106397) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxylic acid
PubChem CID119106397
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(c2cc(-n3cccn3)ncn2)C1
InChIInChI=1S/C11H11N5O2/c17-11(18)8-5-15(6-8)9-4-10(13-7-12-9)16-3-1-2-14-16/h1-4,7-8H,5-6H2,(H,17,18)
InChIKeyGGKXTEHMYYBSBX-UHFFFAOYSA-N
XLogP0.18
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxylic acid (CID 119106397) is 1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxylic acid is O=C(O)C1CN(c2cc(-n3cccn3)ncn2)C1.
What is the InChIKey of 1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxylic acid?
The InChIKey is GGKXTEHMYYBSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c17-11(18)8-5-15(6-8)9-4-10(13-7-12-9)16-3-1-2-14-16/h1-4,7-8H,5-6H2,(H,17,18).
What are the key properties of 1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxylic acid?
1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxylic acid has a molecular weight of 245.24 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxylic acid is sourced from PubChem (CID 119106397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).