7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C16H15N3O2 — CID 53213479

IUPAC7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCCc1c(C(=O)O)cnc2c(-c3ccccc3)c(C)nn12
InChIInChI=1S/C16H15N3O2/c1-3-13-12(16(20)21)9-17-15-14(10(2)18-19(13)15)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,20,21)
InChIKeyZNUHJLCLJCTCPK-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.97
Rot. Bonds3

About 7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 53213479) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID53213479
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCCc1c(C(=O)O)cnc2c(-c3ccccc3)c(C)nn12
InChIInChI=1S/C16H15N3O2/c1-3-13-12(16(20)21)9-17-15-14(10(2)18-19(13)15)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,20,21)
InChIKeyZNUHJLCLJCTCPK-UHFFFAOYSA-N
XLogP2.97
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 53213479) is 7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is CCc1c(C(=O)O)cnc2c(-c3ccccc3)c(C)nn12.
What is the InChIKey of 7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is ZNUHJLCLJCTCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-3-13-12(16(20)21)9-17-15-14(10(2)18-19(13)15)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,20,21).
What are the key properties of 7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 53213479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).