6-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C16H15N3O2 — CID 4547315

IUPAC6-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1nc2c(C(=O)O)cnn2c(C)c1Cc1ccccc1
InChIInChI=1S/C16H15N3O2/c1-10-13(8-12-6-4-3-5-7-12)11(2)19-15(18-10)14(9-17-19)16(20)21/h3-7,9H,8H2,1-2H3,(H,20,21)
InChIKeyUIHOWYSVAZXACP-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.64
Rot. Bonds3

About 6-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

6-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 4547315) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID4547315
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name6-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1nc2c(C(=O)O)cnn2c(C)c1Cc1ccccc1
InChIInChI=1S/C16H15N3O2/c1-10-13(8-12-6-4-3-5-7-12)11(2)19-15(18-10)14(9-17-19)16(20)21/h3-7,9H,8H2,1-2H3,(H,20,21)
InChIKeyUIHOWYSVAZXACP-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-benzyl-N-[2-(dimethylamino)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 126479422
6-[(3-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 4091282
6-benzyl-5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4586027
[6-[(4-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 3400698
[6-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3262969
N-butyl-5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4108374
6-[3-(benzylamino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55737265
6-benzyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3393283
N-[(2-chlorophenyl)methyl]-6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 5220894
6-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3396114
[6-[(3-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 5221008
6-[(4-chlorophenyl)methyl]-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4300024

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 4547315) is 6-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is Cc1nc2c(C(=O)O)cnn2c(C)c1Cc1ccccc1.
What is the InChIKey of 6-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is UIHOWYSVAZXACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-13(8-12-6-4-3-5-7-12)11(2)19-15(18-10)14(9-17-19)16(20)21/h3-7,9H,8H2,1-2H3,(H,20,21).
What are the key properties of 6-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
6-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 4547315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).