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

C18H20N4O2 — CID 137480861

IUPAC7-(dimethylamino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1cccc(C)c1-c1c(C)nn2c(N(C)C)cc(C(=O)O)nc12
InChIInChI=1S/C18H20N4O2/c1-10-7-6-8-11(2)15(10)16-12(3)20-22-14(21(4)5)9-13(18(23)24)19-17(16)22/h6-9H,1-5H3,(H,23,24)
InChIKeyCANREVLXORIOLK-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.09
Rot. Bonds3

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

7-(dimethylamino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 137480861) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 7-(dimethylamino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-(dimethylamino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID137480861
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name7-(dimethylamino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1cccc(C)c1-c1c(C)nn2c(N(C)C)cc(C(=O)O)nc12
InChIInChI=1S/C18H20N4O2/c1-10-7-6-8-11(2)15(10)16-12(3)20-22-14(21(4)5)9-13(18(23)24)19-17(16)22/h6-9H,1-5H3,(H,23,24)
InChIKeyCANREVLXORIOLK-UHFFFAOYSA-N
XLogP3.09
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-Diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 771943
5-Phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 655493
7-(4-Fluorophenyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 4775471
Methyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 771929
7-(Trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxylic acid
CID 781446
6-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-4-carboxylic acid
CID 15657977
1-(4-Fluorophenyl)-3-isopropyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 25247546
2-Methyl-3-(2-methyl-3-(trifluoromethyl)benzyl)-5-morpholinopyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 56927258
2-Methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylic acid
CID 121426376
Ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 777816
7-Methyl-5-phenylpyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 776256
2,7-Dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 7061944

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-(dimethylamino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 137480861) is 7-(dimethylamino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-(dimethylamino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-(dimethylamino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is Cc1cccc(C)c1-c1c(C)nn2c(N(C)C)cc(C(=O)O)nc12.
What is the InChIKey of 7-(dimethylamino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is CANREVLXORIOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-10-7-6-8-11(2)15(10)16-12(3)20-22-14(21(4)5)9-13(18(23)24)19-17(16)22/h6-9H,1-5H3,(H,23,24).
What are the key properties of 7-(dimethylamino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-(dimethylamino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 137480861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).