2-(7-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid

C14H10ClN3O2 — CID 82271662

IUPAC2-(7-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
SMILESO=C(O)Cc1cc(Cl)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C14H10ClN3O2/c15-12-6-10(7-14(19)20)16-13-8-11(17-18(12)13)9-4-2-1-3-5-9/h1-6,8H,7H2,(H,19,20)
InChIKeyBJKIWUDFOIFZJW-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.68
Rot. Bonds3

About 2-(7-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid

2-(7-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid (PubChem CID 82271662) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 2-(7-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(7-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
PubChem CID82271662
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name2-(7-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
SMILESO=C(O)Cc1cc(Cl)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C14H10ClN3O2/c15-12-6-10(7-14(19)20)16-13-8-11(17-18(12)13)9-4-2-1-3-5-9/h1-6,8H,7H2,(H,19,20)
InChIKeyBJKIWUDFOIFZJW-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-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid
CID 82271664
2-(7-chloro-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271650
7-chloro-2-(3-chlorophenyl)-5-propylpyrazolo[1,5-a]pyrimidine
CID 82269954
7-chloro-2-(4-methylphenyl)-5-propylpyrazolo[1,5-a]pyrimidine
CID 82269952
7-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271539
7-chloro-2-(3-methoxyphenyl)-5-propylpyrazolo[1,5-a]pyrimidine
CID 82269959
7-chloro-5-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 82269989
5-chloro-2-phenylpyrazolo[1,5-a]quinazoline
CID 73334175
7-chloro-5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 82269997
7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde
CID 164946401
2-(6-fluoro-4-phenyl-2-pyridinyl)acetic acid
CID 133094911
2-(6-phenyl-8-propyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetic acid
CID 19104906

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(7-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid (CID 82271662) is 2-(7-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(7-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(7-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid is O=C(O)Cc1cc(Cl)n2nc(-c3ccccc3)cc2n1.
What is the InChIKey of 2-(7-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid?
The InChIKey is BJKIWUDFOIFZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c15-12-6-10(7-14(19)20)16-13-8-11(17-18(12)13)9-4-2-1-3-5-9/h1-6,8H,7H2,(H,19,20).
What are the key properties of 2-(7-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid?
2-(7-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-5-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-(7-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 82271662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).