3-amino-3-pyrazolo[1,5-a]pyrimidin-6-ylpropanoic acid

C9H10N4O2 — CID 84779004

IUPAC3-amino-3-pyrazolo[1,5-a]pyrimidin-6-ylpropanoic acid
SMILESNC(CC(=O)O)c1cnc2ccnn2c1
InChIInChI=1S/C9H10N4O2/c10-7(3-9(14)15)6-4-11-8-1-2-12-13(8)5-6/h1-2,4-5,7H,3,10H2,(H,14,15)
InChIKeyFBUVIHFBSSNRSD-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.20
Rot. Bonds3

About 3-amino-3-pyrazolo[1,5-a]pyrimidin-6-ylpropanoic acid

3-amino-3-pyrazolo[1,5-a]pyrimidin-6-ylpropanoic acid (PubChem CID 84779004) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-amino-3-pyrazolo[1,5-a]pyrimidin-6-ylpropanoic acid.

Molecular Properties

Compound Name3-amino-3-pyrazolo[1,5-a]pyrimidin-6-ylpropanoic acid
PubChem CID84779004
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name3-amino-3-pyrazolo[1,5-a]pyrimidin-6-ylpropanoic acid
SMILESNC(CC(=O)O)c1cnc2ccnn2c1
InChIInChI=1S/C9H10N4O2/c10-7(3-9(14)15)6-4-11-8-1-2-12-13(8)5-6/h1-2,4-5,7H,3,10H2,(H,14,15)
InChIKeyFBUVIHFBSSNRSD-UHFFFAOYSA-N
XLogP0.20
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrazolo[1,5-a]pyrimidine-6-propanol, 6-acetate
CID 12773582
3-{Pyrazolo[1,5-a]pyrimidin-6-yl}propan-1-ol
CID 12773578
3-{Pyrazolo[1,5-a]pyrimidin-6-yl}propanoic acid
CID 82603759
3-[4-(Methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanoic acid
CID 91456682
3-[6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid
CID 84729512
3-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 84806135
3-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 84806529
2-Methyl-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 84810029
3-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]butanoic acid
CID 84810030
3-Amino-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 84810468
2-Amino-3-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 84810469
2,2-Difluoro-3-{pyrazolo[1,5-a]pyrimidin-6-yl}propanoic acid
CID 165690143

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-pyrazolo[1,5-a]pyrimidin-6-ylpropanoic acid?
The IUPAC name of 3-amino-3-pyrazolo[1,5-a]pyrimidin-6-ylpropanoic acid (CID 84779004) is 3-amino-3-pyrazolo[1,5-a]pyrimidin-6-ylpropanoic acid.
What is the SMILES notation for 3-amino-3-pyrazolo[1,5-a]pyrimidin-6-ylpropanoic acid?
The canonical SMILES for 3-amino-3-pyrazolo[1,5-a]pyrimidin-6-ylpropanoic acid is NC(CC(=O)O)c1cnc2ccnn2c1.
What is the InChIKey of 3-amino-3-pyrazolo[1,5-a]pyrimidin-6-ylpropanoic acid?
The InChIKey is FBUVIHFBSSNRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c10-7(3-9(14)15)6-4-11-8-1-2-12-13(8)5-6/h1-2,4-5,7H,3,10H2,(H,14,15).
What are the key properties of 3-amino-3-pyrazolo[1,5-a]pyrimidin-6-ylpropanoic acid?
3-amino-3-pyrazolo[1,5-a]pyrimidin-6-ylpropanoic acid has a molecular weight of 206.20 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-pyrazolo[1,5-a]pyrimidin-6-ylpropanoic acid is sourced from PubChem (CID 84779004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).