2-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid

C14H10ClN3O2 — CID 82272165

IUPAC2-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid
SMILESO=C(O)Cc1c(-c2ccccc2Cl)nn2cccnc12
InChIInChI=1S/C14H10ClN3O2/c15-11-5-2-1-4-9(11)13-10(8-12(19)20)14-16-6-3-7-18(14)17-13/h1-7H,8H2,(H,19,20)
InChIKeyUUFJZSRCRVGURT-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.68
Rot. Bonds3

About 2-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid

2-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid (PubChem CID 82272165) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid
PubChem CID82272165
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name2-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid
SMILESO=C(O)Cc1c(-c2ccccc2Cl)nn2cccnc12
InChIInChI=1S/C14H10ClN3O2/c15-11-5-2-1-4-9(11)13-10(8-12(19)20)14-16-6-3-7-18(14)17-13/h1-7H,8H2,(H,19,20)
InChIKeyUUFJZSRCRVGURT-UHFFFAOYSA-N
XLogP2.68
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanol
CID 82271926
N,N-dimethyl-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 19898797
3-(2-chlorophenyl)-4-ethyl-1-methylpyrazole
CID 123288377
2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dipropylacetamide
CID 19898819
2-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
CID 122516643
2-(2-chlorophenyl)pyridine-3-carboxylic acid
CID 52983918
2-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 82271864
2-[2-chloro-4-(2-chlorophenyl)phenyl]acetic acid
CID 176516186
(4-phenylphenyl) 3-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 167907964
2-(3-chloro-2-pyridinyl)acetic acid;hydrochloride
CID 68723222
3-chloro-N-(2-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4867160
2-[5-bromo-2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 70373613

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid?
The IUPAC name of 2-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid (CID 82272165) is 2-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid?
The canonical SMILES for 2-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid is O=C(O)Cc1c(-c2ccccc2Cl)nn2cccnc12.
What is the InChIKey of 2-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid?
The InChIKey is UUFJZSRCRVGURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c15-11-5-2-1-4-9(11)13-10(8-12(19)20)14-16-6-3-7-18(14)17-13/h1-7H,8H2,(H,19,20).
What are the key properties of 2-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid?
2-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid has a molecular weight of 287.71 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid is sourced from PubChem (CID 82272165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).