7-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C14H10ClN3O2 — CID 82271539

IUPAC7-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1ccc(-c2cc3nc(C(=O)O)cc(Cl)n3n2)cc1
InChIInChI=1S/C14H10ClN3O2/c1-8-2-4-9(5-3-8)10-7-13-16-11(14(19)20)6-12(15)18(13)17-10/h2-7H,1H3,(H,19,20)
InChIKeyAXKJFZHFLXOIRR-UHFFFAOYSA-N
MW287.71 g/mol
LogP3.06
Rot. Bonds2

About 7-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

7-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 82271539) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 7-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID82271539
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name7-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1ccc(-c2cc3nc(C(=O)O)cc(Cl)n3n2)cc1
InChIInChI=1S/C14H10ClN3O2/c1-8-2-4-9(5-3-8)10-7-13-16-11(14(19)20)6-12(15)18(13)17-10/h2-7H,1H3,(H,19,20)
InChIKeyAXKJFZHFLXOIRR-UHFFFAOYSA-N
XLogP3.06
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82092183
2-tert-butyl-7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271525
7-chloro-2-(4-methylphenyl)-5-propylpyrazolo[1,5-a]pyrimidine
CID 82269952
7-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271527
2-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 46079483
2-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid
CID 82271664
7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 84679300
6-chloro-5,7-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 779831
6-(4-aminophenyl)-4-methylpyridine-2-carboxylic acid
CID 125488527
2-(7-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271662
5-methyl-2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine
CID 2900694
2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271418

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 82271539) is 7-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is Cc1ccc(-c2cc3nc(C(=O)O)cc(Cl)n3n2)cc1.
What is the InChIKey of 7-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is AXKJFZHFLXOIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c1-8-2-4-9(5-3-8)10-7-13-16-11(14(19)20)6-12(15)18(13)17-10/h2-7H,1H3,(H,19,20).
What are the key properties of 7-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 287.71 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82271539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).