2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)cyclopentane-1-carboxylic acid

C12H14N4O2 — CID 113296576

IUPAC2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1Nc1ccn2nccc2n1
InChIInChI=1S/C12H14N4O2/c17-12(18)8-2-1-3-9(8)14-10-5-7-16-11(15-10)4-6-13-16/h4-9H,1-3H2,(H,14,15)(H,17,18)
InChIKeyTZRDOWOIEQJLTF-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.39
Rot. Bonds3

About 2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)cyclopentane-1-carboxylic acid

2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)cyclopentane-1-carboxylic acid (PubChem CID 113296576) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)cyclopentane-1-carboxylic acid
PubChem CID113296576
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1Nc1ccn2nccc2n1
InChIInChI=1S/C12H14N4O2/c17-12(18)8-2-1-3-9(8)14-10-5-7-16-11(15-10)4-6-13-16/h4-9H,1-3H2,(H,14,15)(H,17,18)
InChIKeyTZRDOWOIEQJLTF-UHFFFAOYSA-N
XLogP1.39
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)cyclopentane-1-carboxylic acid (CID 113296576) is 2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1Nc1ccn2nccc2n1.
What is the InChIKey of 2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)cyclopentane-1-carboxylic acid?
The InChIKey is TZRDOWOIEQJLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-12(18)8-2-1-3-9(8)14-10-5-7-16-11(15-10)4-6-13-16/h4-9H,1-3H2,(H,14,15)(H,17,18).
What are the key properties of 2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)cyclopentane-1-carboxylic acid?
2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)cyclopentane-1-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 113296576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).