7-(3-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C14H10BrN3O2 — CID 84609302

IUPAC7-(3-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1cc2nc(C(=O)O)cc(-c3cccc(Br)c3)n2n1
InChIInChI=1S/C14H10BrN3O2/c1-8-5-13-16-11(14(19)20)7-12(18(13)17-8)9-3-2-4-10(15)6-9/h2-7H,1H3,(H,19,20)
InChIKeyYHZQXVRDQSWPNR-UHFFFAOYSA-N
MW332.16 g/mol
LogP3.17
Rot. Bonds2

About 7-(3-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

7-(3-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 84609302) has the molecular formula C14H10BrN3O2 and a molecular weight of 332.16 g/mol. Its IUPAC name is 7-(3-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-(3-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID84609302
Molecular FormulaC14H10BrN3O2
Molecular Weight332.16 g/mol
Exact Mass331.00
IUPAC Name7-(3-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1cc2nc(C(=O)O)cc(-c3cccc(Br)c3)n2n1
InChIInChI=1S/C14H10BrN3O2/c1-8-5-13-16-11(14(19)20)7-12(18(13)17-8)9-3-2-4-10(15)6-9/h2-7H,1H3,(H,19,20)
InChIKeyYHZQXVRDQSWPNR-UHFFFAOYSA-N
XLogP3.17
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 67082901
7-(4-bromophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 84609529
5-(3-bromophenyl)-1,3-dimethylpyrazole
CID 116856814
2-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 46079483
7-methoxycarbonyl-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 143346586
7-(3-fluorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine
CID 170092780
5-ethoxycarbonyl-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 34179423
6-(3-bromophenyl)pyridine-2-carboxylic acid
CID 82378732
ethyl 5-(3-bromophenyl)-1-methylpyrazole-3-carboxylate
CID 57428257
2-(3-bromophenyl)-6-methylsulfanylpyrimidine-4-carboxylic acid
CID 116862454
5,6-bis(3-bromophenyl)pyrazine-2,3-dicarboxylic acid
CID 132588495
7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82092183

Frequently Asked Questions

What is the IUPAC name of 7-(3-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-(3-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 84609302) is 7-(3-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-(3-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-(3-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is Cc1cc2nc(C(=O)O)cc(-c3cccc(Br)c3)n2n1.
What is the InChIKey of 7-(3-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is YHZQXVRDQSWPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2/c1-8-5-13-16-11(14(19)20)7-12(18(13)17-8)9-3-2-4-10(15)6-9/h2-7H,1H3,(H,19,20).
What are the key properties of 7-(3-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-(3-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 332.16 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 84609302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).