2-benzylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C14H11N3O2 — CID 156508030

IUPAC2-benzylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cnc2cc(Cc3ccccc3)nn2c1
InChIInChI=1S/C14H11N3O2/c18-14(19)11-8-15-13-7-12(16-17(13)9-11)6-10-4-2-1-3-5-10/h1-5,7-9H,6H2,(H,18,19)
InChIKeyOUVBAHISZPEQRQ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.02
Rot. Bonds3

About 2-benzylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

2-benzylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 156508030) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-benzylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-benzylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID156508030
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-benzylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cnc2cc(Cc3ccccc3)nn2c1
InChIInChI=1S/C14H11N3O2/c18-14(19)11-8-15-13-7-12(16-17(13)9-11)6-10-4-2-1-3-5-10/h1-5,7-9H,6H2,(H,18,19)
InChIKeyOUVBAHISZPEQRQ-UHFFFAOYSA-N
XLogP2.02
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-benzylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 156508030) is 2-benzylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-benzylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-benzylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is O=C(O)c1cnc2cc(Cc3ccccc3)nn2c1.
What is the InChIKey of 2-benzylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is OUVBAHISZPEQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-14(19)11-8-15-13-7-12(16-17(13)9-11)6-10-4-2-1-3-5-10/h1-5,7-9H,6H2,(H,18,19).
What are the key properties of 2-benzylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
2-benzylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 156508030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).