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

C14H11N3O2 — CID 19916195

IUPAC2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCc1cc2nc(-c3ccccc3)cc(C(=O)O)n2n1
InChIInChI=1S/C14H11N3O2/c1-9-7-13-15-11(10-5-3-2-4-6-10)8-12(14(18)19)17(13)16-9/h2-8H,1H3,(H,18,19)
InChIKeySUQJLVBGOHXEBZ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.40
Rot. Bonds2

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

2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 19916195) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID19916195
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCc1cc2nc(-c3ccccc3)cc(C(=O)O)n2n1
InChIInChI=1S/C14H11N3O2/c1-9-7-13-15-11(10-5-3-2-4-6-10)8-12(14(18)19)17(13)16-9/h2-8H,1H3,(H,18,19)
InChIKeySUQJLVBGOHXEBZ-UHFFFAOYSA-N
XLogP2.40
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 19916195) is 2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is Cc1cc2nc(-c3ccccc3)cc(C(=O)O)n2n1.
What is the InChIKey of 2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is SUQJLVBGOHXEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-9-7-13-15-11(10-5-3-2-4-6-10)8-12(14(18)19)17(13)16-9/h2-8H,1H3,(H,18,19).
What are the key properties of 2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 19916195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).