7-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C11H13N3O2 — CID 83706254

IUPAC7-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1cc(C(=O)O)nc2c(C(C)C)cnn12
InChIInChI=1S/C11H13N3O2/c1-6(2)8-5-12-14-7(3)4-9(11(15)16)13-10(8)14/h4-6H,1-3H3,(H,15,16)
InChIKeyZNFUQFWYXQKVPH-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.86
Rot. Bonds2

About 7-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

7-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 83706254) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 7-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID83706254
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name7-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1cc(C(=O)O)nc2c(C(C)C)cnn12
InChIInChI=1S/C11H13N3O2/c1-6(2)8-5-12-14-7(3)4-9(11(15)16)13-10(8)14/h4-6H,1-3H3,(H,15,16)
InChIKeyZNFUQFWYXQKVPH-UHFFFAOYSA-N
XLogP1.86
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 83706254) is 7-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is Cc1cc(C(=O)O)nc2c(C(C)C)cnn12.
What is the InChIKey of 7-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is ZNFUQFWYXQKVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-6(2)8-5-12-14-7(3)4-9(11(15)16)13-10(8)14/h4-6H,1-3H3,(H,15,16).
What are the key properties of 7-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83706254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).