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

C11H12ClN3O2 — CID 82271650

IUPAC2-(7-chloro-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
SMILESCC(C)c1cc2nc(CC(=O)O)cc(Cl)n2n1
InChIInChI=1S/C11H12ClN3O2/c1-6(2)8-5-10-13-7(4-11(16)17)3-9(12)15(10)14-8/h3,5-6H,4H2,1-2H3,(H,16,17)
InChIKeyBVFKWXFUYYOWRH-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.13
Rot. Bonds3

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

2-(7-chloro-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid (PubChem CID 82271650) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 2-(7-chloro-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(7-chloro-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
PubChem CID82271650
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name2-(7-chloro-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
SMILESCC(C)c1cc2nc(CC(=O)O)cc(Cl)n2n1
InChIInChI=1S/C11H12ClN3O2/c1-6(2)8-5-10-13-7(4-11(16)17)3-9(12)15(10)14-8/h3,5-6H,4H2,1-2H3,(H,16,17)
InChIKeyBVFKWXFUYYOWRH-UHFFFAOYSA-N
XLogP2.13
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271662
2-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid
CID 82271664
2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)acetic acid
CID 83852863
7-chloro-5-ethyl-6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 104621661
2-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
CID 84786594
2-[6-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid
CID 118991959
5,7-dimethyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine;ethane
CID 144569738
2-(6-amino-2-propan-2-ylpyrimidin-4-yl)acetic acid
CID 83864259
ethyl 7-chloro-5-propylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 114514655
(5-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 117246795
5,7-dichloro-6-phenyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 104621648
2-(7-methylimidazo[1,2-c]pyrimidin-2-yl)acetic acid
CID 82403637

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(7-chloro-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid (CID 82271650) is 2-(7-chloro-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(7-chloro-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(7-chloro-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid is CC(C)c1cc2nc(CC(=O)O)cc(Cl)n2n1.
What is the InChIKey of 2-(7-chloro-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid?
The InChIKey is BVFKWXFUYYOWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-6(2)8-5-10-13-7(4-11(16)17)3-9(12)15(10)14-8/h3,5-6H,4H2,1-2H3,(H,16,17).
What are the key properties of 2-(7-chloro-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid?
2-(7-chloro-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid has a molecular weight of 253.69 g/mol, XLogP of 2.13, 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-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 82271650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).