2-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C16H15N3O2 — CID 82371064

IUPAC2-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1ccc(-c2cc3ncc(C(=O)O)c(C)n3n2)cc1C
InChIInChI=1S/C16H15N3O2/c1-9-4-5-12(6-10(9)2)14-7-15-17-8-13(16(20)21)11(3)19(15)18-14/h4-8H,1-3H3,(H,20,21)
InChIKeyYTOFBYLRWCTHCD-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.02
Rot. Bonds2

About 2-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

2-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 82371064) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID82371064
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name2-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1ccc(-c2cc3ncc(C(=O)O)c(C)n3n2)cc1C
InChIInChI=1S/C16H15N3O2/c1-9-4-5-12(6-10(9)2)14-7-15-17-8-13(16(20)21)11(3)19(15)18-14/h4-8H,1-3H3,(H,20,21)
InChIKeyYTOFBYLRWCTHCD-UHFFFAOYSA-N
XLogP3.02
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-2-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 82371069
1-[4-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]ethanone
CID 3983688
2-methoxy-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 112756875
7-methyl-2-phenyl-N-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5149768
N-[(2S)-butan-2-yl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811834
N-cyclohexyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811833
7-methyl-N-(2-methylpropyl)-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811831
3-bromo-6-(3,4-dimethylphenyl)imidazo[1,2-b]pyridazine
CID 116854655
6-(3,4-dimethylphenyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid
CID 116821494
2-(2-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carbohydrazide
CID 100802493
2,7-diphenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4023697
3-(3,4-dimethylphenyl)-1-pentan-3-ylpyrazole-4-carboxylic acid
CID 61270937

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 82371064) is 2-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is Cc1ccc(-c2cc3ncc(C(=O)O)c(C)n3n2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is YTOFBYLRWCTHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-9-4-5-12(6-10(9)2)14-7-15-17-8-13(16(20)21)11(3)19(15)18-14/h4-8H,1-3H3,(H,20,21).
What are the key properties of 2-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
2-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 281.32 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 82371064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).