2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid

C9H8ClN3O2 — CID 84725727

IUPAC2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid
SMILESCC(C(=O)O)c1cc2ncc(Cl)cn2n1
InChIInChI=1S/C9H8ClN3O2/c1-5(9(14)15)7-2-8-11-3-6(10)4-13(8)12-7/h2-5H,1H3,(H,14,15)
InChIKeyAUEQYDVSDKCWED-UHFFFAOYSA-N
MW225.64 g/mol
LogP1.57
Rot. Bonds2

About 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid

2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid (PubChem CID 84725727) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid
PubChem CID84725727
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC Name2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid
SMILESCC(C(=O)O)c1cc2ncc(Cl)cn2n1
InChIInChI=1S/C9H8ClN3O2/c1-5(9(14)15)7-2-8-11-3-6(10)4-13(8)12-7/h2-5H,1H3,(H,14,15)
InChIKeyAUEQYDVSDKCWED-UHFFFAOYSA-N
XLogP1.57
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-2-methylpropanoic acid
CID 84727947
2-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
CID 84786594
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)methanamine
CID 84658788
ethane;6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 168939363
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24810834
2-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)propan-2-amine
CID 84786283
(2S)-2-(4-chloropyrazol-1-yl)propanoic acid
CID 7026118
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(6,7-dichloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 58416367
2-(6-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)acetic acid
CID 84684657
2-bromopyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 84703019
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(4-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 24811930
2-(5-methyl-1-propan-2-ylpyrazol-3-yl)propanoic acid
CID 105450059

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid?
The IUPAC name of 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid (CID 84725727) is 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid.
What is the SMILES notation for 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid?
The canonical SMILES for 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid is CC(C(=O)O)c1cc2ncc(Cl)cn2n1.
What is the InChIKey of 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid?
The InChIKey is AUEQYDVSDKCWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c1-5(9(14)15)7-2-8-11-3-6(10)4-13(8)12-7/h2-5H,1H3,(H,14,15).
What are the key properties of 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid?
2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid has a molecular weight of 225.64 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid is sourced from PubChem (CID 84725727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).