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

C14H11N3O2 — CID 113433503

IUPAC3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCc1cnn2c(C(=O)O)cc(-c3ccccc3)nc12
InChIInChI=1S/C14H11N3O2/c1-9-8-15-17-12(14(18)19)7-11(16-13(9)17)10-5-3-2-4-6-10/h2-8H,1H3,(H,18,19)
InChIKeySTHHLYNPIMUZPB-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.40
Rot. Bonds2

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

3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 113433503) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID113433503
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCc1cnn2c(C(=O)O)cc(-c3ccccc3)nc12
InChIInChI=1S/C14H11N3O2/c1-9-8-15-17-12(14(18)19)7-11(16-13(9)17)10-5-3-2-4-6-10/h2-8H,1H3,(H,18,19)
InChIKeySTHHLYNPIMUZPB-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 3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 113433503) is 3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is Cc1cnn2c(C(=O)O)cc(-c3ccccc3)nc12.
What is the InChIKey of 3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is STHHLYNPIMUZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-9-8-15-17-12(14(18)19)7-11(16-13(9)17)10-5-3-2-4-6-10/h2-8H,1H3,(H,18,19).
What are the key properties of 3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
3-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 3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 113433503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).