3-(2,6-dimethylphenyl)-2-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C21H25N5O2 — CID 137480835

IUPAC3-(2,6-dimethylphenyl)-2-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1cccc(C)c1-c1c(C)nn2c(N3CCN(C)CC3)cc(C(=O)O)nc12
InChIInChI=1S/C21H25N5O2/c1-13-6-5-7-14(2)18(13)19-15(3)23-26-17(25-10-8-24(4)9-11-25)12-16(21(27)28)22-20(19)26/h5-7,12H,8-11H2,1-4H3,(H,27,28)
InChIKeyWSIWIAQRRQEIHS-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.77
Rot. Bonds3

About 3-(2,6-dimethylphenyl)-2-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

3-(2,6-dimethylphenyl)-2-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 137480835) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-2-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-2-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID137480835
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name3-(2,6-dimethylphenyl)-2-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1cccc(C)c1-c1c(C)nn2c(N3CCN(C)CC3)cc(C(=O)O)nc12
InChIInChI=1S/C21H25N5O2/c1-13-6-5-7-14(2)18(13)19-15(3)23-26-17(25-10-8-24(4)9-11-25)12-16(21(27)28)22-20(19)26/h5-7,12H,8-11H2,1-4H3,(H,27,28)
InChIKeyWSIWIAQRRQEIHS-UHFFFAOYSA-N
XLogP2.77
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2,6-dimethylphenyl)-2-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
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}-5-(4-morpholinyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 71270913
2-(Hydroxymethyl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylic acid
CID 121426350
2-Methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxylic acid
CID 121426376
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
3-Bromo-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 807578

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-2-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 3-(2,6-dimethylphenyl)-2-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 137480835) is 3-(2,6-dimethylphenyl)-2-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-2-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 3-(2,6-dimethylphenyl)-2-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is Cc1cccc(C)c1-c1c(C)nn2c(N3CCN(C)CC3)cc(C(=O)O)nc12.
What is the InChIKey of 3-(2,6-dimethylphenyl)-2-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is WSIWIAQRRQEIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-13-6-5-7-14(2)18(13)19-15(3)23-26-17(25-10-8-24(4)9-11-25)12-16(21(27)28)22-20(19)26/h5-7,12H,8-11H2,1-4H3,(H,27,28).
What are the key properties of 3-(2,6-dimethylphenyl)-2-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
3-(2,6-dimethylphenyl)-2-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 379.46 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-2-methyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 137480835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).