3-amino-6-cyclopentylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C12H14N4O2 — CID 82384535

IUPAC3-amino-6-cyclopentylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESNc1c(C(=O)O)nn2cc(C3CCCC3)cnc12
InChIInChI=1S/C12H14N4O2/c13-9-10(12(17)18)15-16-6-8(5-14-11(9)16)7-3-1-2-4-7/h5-7H,1-4,13H2,(H,17,18)
InChIKeyBHZLTTOUAYYHEG-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.67
Rot. Bonds2

About 3-amino-6-cyclopentylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

3-amino-6-cyclopentylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 82384535) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-amino-6-cyclopentylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-cyclopentylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID82384535
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name3-amino-6-cyclopentylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESNc1c(C(=O)O)nn2cc(C3CCCC3)cnc12
InChIInChI=1S/C12H14N4O2/c13-9-10(12(17)18)15-16-6-8(5-14-11(9)16)7-3-1-2-4-7/h5-7H,1-4,13H2,(H,17,18)
InChIKeyBHZLTTOUAYYHEG-UHFFFAOYSA-N
XLogP1.67
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclobutyl-2-ethylpyrazolo[1,5-a]pyrimidin-3-amine
CID 115029744
3-amino-2-cyclopropylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 83821865
2-(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)acetic acid
CID 84723996
6-amino-2-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 84683517
2-amino-5-cycloheptyl-1H-imidazole-4-carboxylic acid
CID 105480565
6-bromo-2-cyclobutylpyrazolo[1,5-a]pyrimidin-3-amine
CID 115049666
3-amino-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 83818121
6-amino-5-cyclobutylpyrimidine-4-carboxylic acid
CID 84664616
2-cyclopropyl-6-methylpyrazolo[1,5-a]pyrimidin-3-amine
CID 115017555
5-chloro-3-cyclohexylpyridine-2-carboxylic acid
CID 84727953
5-cyclopentyl-2-propan-2-ylpyridine-3-carboxylic acid
CID 83918791
2-cyclohexyl-6-(4-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 69155467

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-cyclopentylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 3-amino-6-cyclopentylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 82384535) is 3-amino-6-cyclopentylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-cyclopentylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-cyclopentylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is Nc1c(C(=O)O)nn2cc(C3CCCC3)cnc12.
What is the InChIKey of 3-amino-6-cyclopentylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is BHZLTTOUAYYHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-9-10(12(17)18)15-16-6-8(5-14-11(9)16)7-3-1-2-4-7/h5-7H,1-4,13H2,(H,17,18).
What are the key properties of 3-amino-6-cyclopentylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
3-amino-6-cyclopentylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-cyclopentylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 82384535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).