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

C11H14N4O2 — CID 115372015

IUPAC2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pentanoic acid
SMILESCCCC(Nc1ccn2nccc2n1)C(=O)O
InChIInChI=1S/C11H14N4O2/c1-2-3-8(11(16)17)13-9-5-7-15-10(14-9)4-6-12-15/h4-8H,2-3H2,1H3,(H,13,14)(H,16,17)
InChIKeyPVOGEXLJCQRORH-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.39
Rot. Bonds5

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

2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pentanoic acid (PubChem CID 115372015) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pentanoic acid.

Molecular Properties

Compound Name2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pentanoic acid
PubChem CID115372015
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pentanoic acid
SMILESCCCC(Nc1ccn2nccc2n1)C(=O)O
InChIInChI=1S/C11H14N4O2/c1-2-3-8(11(16)17)13-9-5-7-15-10(14-9)4-6-12-15/h4-8H,2-3H2,1H3,(H,13,14)(H,16,17)
InChIKeyPVOGEXLJCQRORH-UHFFFAOYSA-N
XLogP1.39
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
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)pentanoic acid?
The IUPAC name of 2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pentanoic acid (CID 115372015) is 2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pentanoic acid.
What is the SMILES notation for 2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pentanoic acid?
The canonical SMILES for 2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pentanoic acid is CCCC(Nc1ccn2nccc2n1)C(=O)O.
What is the InChIKey of 2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pentanoic acid?
The InChIKey is PVOGEXLJCQRORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-2-3-8(11(16)17)13-9-5-7-15-10(14-9)4-6-12-15/h4-8H,2-3H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pentanoic acid?
2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pentanoic acid has a molecular weight of 234.26 g/mol, XLogP of 1.39, 5 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)pentanoic acid is sourced from PubChem (CID 115372015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).