2-(dimethylcarbamoyl)-3-(2,6-dimethylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C21H24N4O3 — CID 137481190

IUPAC2-(dimethylcarbamoyl)-3-(2,6-dimethylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1cccc(C)c1-c1c(C(=O)N(C)C)nn2c(C(C)C)cc(C(=O)O)nc12
InChIInChI=1S/C21H24N4O3/c1-11(2)15-10-14(21(27)28)22-19-17(16-12(3)8-7-9-13(16)4)18(23-25(15)19)20(26)24(5)6/h7-11H,1-6H3,(H,27,28)
InChIKeyGXCPTOPEATZTAR-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.54
Rot. Bonds4

About 2-(dimethylcarbamoyl)-3-(2,6-dimethylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

2-(dimethylcarbamoyl)-3-(2,6-dimethylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 137481190) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-(dimethylcarbamoyl)-3-(2,6-dimethylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylcarbamoyl)-3-(2,6-dimethylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID137481190
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-(dimethylcarbamoyl)-3-(2,6-dimethylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1cccc(C)c1-c1c(C(=O)N(C)C)nn2c(C(C)C)cc(C(=O)O)nc12
InChIInChI=1S/C21H24N4O3/c1-11(2)15-10-14(21(27)28)22-19-17(16-12(3)8-7-9-13(16)4)18(23-25(15)19)20(26)24(5)6/h7-11H,1-6H3,(H,27,28)
InChIKeyGXCPTOPEATZTAR-UHFFFAOYSA-N
XLogP3.54
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(4-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 71563419
3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 137481122
3-(2,6-dimethylphenyl)-2,7-dipropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 137481196
4-(2-methyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-oxobutanoic acid
CID 167337516
ethyl 2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 137481289
1-[3-(3-fluorophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 160810234
ethyl 3-(2-fluoro-6-isocyanophenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 155791345
7-(4-cyanoanilino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 137480972
1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole-3-carboxylic acid
CID 82300416
2-bromo-1-chloro-3-methylbenzene;3-(2-chloro-6-methylphenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(2-chloro-6-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl 3-bromo-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 3-(2-chloro-6-methylphenyl)-2-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 160664172
methyl 7-chloro-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 137480920
4-chloro-1-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741649

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylcarbamoyl)-3-(2,6-dimethylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(dimethylcarbamoyl)-3-(2,6-dimethylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 137481190) is 2-(dimethylcarbamoyl)-3-(2,6-dimethylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(dimethylcarbamoyl)-3-(2,6-dimethylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(dimethylcarbamoyl)-3-(2,6-dimethylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is Cc1cccc(C)c1-c1c(C(=O)N(C)C)nn2c(C(C)C)cc(C(=O)O)nc12.
What is the InChIKey of 2-(dimethylcarbamoyl)-3-(2,6-dimethylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is GXCPTOPEATZTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-11(2)15-10-14(21(27)28)22-19-17(16-12(3)8-7-9-13(16)4)18(23-25(15)19)20(26)24(5)6/h7-11H,1-6H3,(H,27,28).
What are the key properties of 2-(dimethylcarbamoyl)-3-(2,6-dimethylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
2-(dimethylcarbamoyl)-3-(2,6-dimethylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 380.45 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylcarbamoyl)-3-(2,6-dimethylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 137481190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).