3-bromo-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C14H10BrN3O2 — CID 807578

IUPAC3-bromo-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCc1cc(-c2ccccc2)nc2c(Br)c(C(=O)O)nn12
InChIInChI=1S/C14H10BrN3O2/c1-8-7-10(9-5-3-2-4-6-9)16-13-11(15)12(14(19)20)17-18(8)13/h2-7H,1H3,(H,19,20)
InChIKeyJKWJPEBPFMSVBX-UHFFFAOYSA-N
MW332.16 g/mol
LogP3.17
Rot. Bonds2

About 3-bromo-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

3-bromo-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 807578) has the molecular formula C14H10BrN3O2 and a molecular weight of 332.16 g/mol. Its IUPAC name is 3-bromo-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name3-bromo-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID807578
Molecular FormulaC14H10BrN3O2
Molecular Weight332.16 g/mol
Exact Mass331.00
IUPAC Name3-bromo-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCc1cc(-c2ccccc2)nc2c(Br)c(C(=O)O)nn12
InChIInChI=1S/C14H10BrN3O2/c1-8-7-10(9-5-3-2-4-6-9)16-13-11(15)12(14(19)20)17-18(8)13/h2-7H,1H3,(H,19,20)
InChIKeyJKWJPEBPFMSVBX-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

Analyze 3-bromo-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 3-bromo-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 807578) is 3-bromo-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 3-bromo-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 3-bromo-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is Cc1cc(-c2ccccc2)nc2c(Br)c(C(=O)O)nn12.
What is the InChIKey of 3-bromo-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is JKWJPEBPFMSVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2/c1-8-7-10(9-5-3-2-4-6-9)16-13-11(15)12(14(19)20)17-18(8)13/h2-7H,1H3,(H,19,20).
What are the key properties of 3-bromo-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
3-bromo-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-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 3-bromo-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 807578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).