2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C15H13N3O2 — CID 7061944

IUPAC2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1nn2c(C)cc(C(=O)O)nc2c1-c1ccccc1
InChIInChI=1S/C15H13N3O2/c1-9-8-12(15(19)20)16-14-13(10(2)17-18(9)14)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,19,20)
InChIKeyFAMCLLZNSYFZQT-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.71
Rot. Bonds2

About 2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 7061944) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID7061944
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1nn2c(C)cc(C(=O)O)nc2c1-c1ccccc1
InChIInChI=1S/C15H13N3O2/c1-9-8-12(15(19)20)16-14-13(10(2)17-18(9)14)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,19,20)
InChIKeyFAMCLLZNSYFZQT-UHFFFAOYSA-N
XLogP2.71
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 7061944) is 2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is Cc1nn2c(C)cc(C(=O)O)nc2c1-c1ccccc1.
What is the InChIKey of 2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is FAMCLLZNSYFZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-8-12(15(19)20)16-14-13(10(2)17-18(9)14)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,19,20).
What are the key properties of 2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 7061944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).