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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Related Compounds

N-(2-methylcyclopentyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372556
N-(2-chlorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115373212
N-cyclopropylpyrazolo[1,5-a]pyrimidin-5-amine
CID 115372297
N-(3-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372348
2-(quinolin-2-ylamino)cyclopentane-1-carboxylic acid
CID 64816078
2-[(6-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 64817435
cis-(1S,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 138024213
cis-(1R,2S)-2-(pyrimidin-2-ylamino)cyclopentane-1-carboxylic acid
CID 164653891
N-(oxan-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372562
[(1S,2R)-2-[(2-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexyl]carbamic acid
CID 170433650
2-(quinoxalin-2-ylamino)cyclohexane-1-carboxylic acid
CID 64818215
N-propan-2-yl-2-(pyrazolo[1,5-a]pyrimidin-5-ylamino)acetamide
CID 113296656

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).