8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid

C63H62N16O13 — CID 158162560

IUPAC8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
SMILESCCCOc1ccc(-c2c(C)nn3c(C)c(C(=O)O)nnc23)cc1.CCOc1ccc(-c2c(C)nn3c(C)c(C(=O)O)nnc23)cc1.COc1ccc(-c2c(C)nn3c(C)c(C(=O)O)nnc23)cc1OC.Cc1nn2c(C)c(C(=O)O)nnc2c1-c1ccc(O)cc1
InChIInChI=1S/C17H18N4O3.C16H16N4O4.C16H16N4O3.C14H12N4O3/c1-4-9-24-13-7-5-12(6-8-13)14-10(2)20-21-11(3)15(17(22)23)18-19-16(14)21;1-8-13(10-5-6-11(23-3)12(7-10)24-4)15-18-17-14(16(21)22)9(2)20(15)19-8;1-4-23-12-7-5-11(6-8-12)13-9(2)19-20-10(3)14(16(21)22)17-18-15(13)20;1-7-11(9-3-5-10(19)6-4-9)13-16-15-12(14(20)21)8(2)18(13)17-7/h5-8H,4,9H2,1-3H3,(H,22,23);5-7H,1-4H3,(H,21,22);5-8H,4H2,1-3H3,(H,21,22);3-6,19H,1-2H3,(H,20,21)
InChIKeyFWLLMTIXRGTZJO-UHFFFAOYSA-N
MW1251.29 g/mol
LogP9.34
Rot. Bonds15

About 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid

8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid (PubChem CID 158162560) has the molecular formula C63H62N16O13 and a molecular weight of 1251.29 g/mol. Its IUPAC name is 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid.

Molecular Properties

Compound Name8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
PubChem CID158162560
Molecular FormulaC63H62N16O13
Molecular Weight1251.29 g/mol
Exact Mass1250.47
IUPAC Name8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
SMILESCCCOc1ccc(-c2c(C)nn3c(C)c(C(=O)O)nnc23)cc1.CCOc1ccc(-c2c(C)nn3c(C)c(C(=O)O)nnc23)cc1.COc1ccc(-c2c(C)nn3c(C)c(C(=O)O)nnc23)cc1OC.Cc1nn2c(C)c(C(=O)O)nnc2c1-c1ccc(O)cc1
InChIInChI=1S/C17H18N4O3.C16H16N4O4.C16H16N4O3.C14H12N4O3/c1-4-9-24-13-7-5-12(6-8-13)14-10(2)20-21-11(3)15(17(22)23)18-19-16(14)21;1-8-13(10-5-6-11(23-3)12(7-10)24-4)15-18-17-14(16(21)22)9(2)20(15)19-8;1-4-23-12-7-5-11(6-8-12)13-9(2)19-20-10(3)14(16(21)22)17-18-15(13)20;1-7-11(9-3-5-10(19)6-4-9)13-16-15-12(14(20)21)8(2)18(13)17-7/h5-8H,4,9H2,1-3H3,(H,22,23);5-7H,1-4H3,(H,21,22);5-8H,4H2,1-3H3,(H,21,22);3-6,19H,1-2H3,(H,20,21)
InChIKeyFWLLMTIXRGTZJO-UHFFFAOYSA-N
XLogP9.34
TPSA378.67 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001251.29
LogP ≤ 59.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid with MolForge

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Related Compounds

Ethyl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 8072098
8-(1,3-Benzodioxol-5-yl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
CID 90183153
8-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
CID 90183154
8-(3,4-Dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
CID 90183224
8-(3,5-Dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propan-2-yl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;propyl 8-(4-chlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 158093288
Azanium;8-(4-butoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;8-[(3,4-dichlorophenyl)methyl]-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propan-2-yloxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
CID 158563274
8-(1,3-benzodioxol-5-yl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-chloro-3-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-chloro-3-methoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;7-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,6-dimethyl-4aH-pyrrolo[3,2-c]pyridazine-3-carboxylic acid
CID 159399765
Ethyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 159508936
8-(4-Chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;ethyl 8-(4-chloro-3-propoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate;ethyl 8-(4-cyclopentyloxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 159707172
8-(1,3-Benzodioxol-5-yl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-chloro-3-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-chloro-3-methoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
CID 161684719
5-amino-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbaldehyde;[5-[(3,4-dimethoxyphenyl)methylamino]-2,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]methanol;N-[(3,4-dimethoxyphenyl)methyl]-2,7,8-trimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 162081272
Propan-2-yl 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 16585131

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?
The IUPAC name of 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid (CID 158162560) is 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid.
What is the SMILES notation for 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?
The canonical SMILES for 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid is CCCOc1ccc(-c2c(C)nn3c(C)c(C(=O)O)nnc23)cc1.CCOc1ccc(-c2c(C)nn3c(C)c(C(=O)O)nnc23)cc1.COc1ccc(-c2c(C)nn3c(C)c(C(=O)O)nnc23)cc1OC.Cc1nn2c(C)c(C(=O)O)nnc2c1-c1ccc(O)cc1.
What is the InChIKey of 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?
The InChIKey is FWLLMTIXRGTZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3.C16H16N4O4.C16H16N4O3.C14H12N4O3/c1-4-9-24-13-7-5-12(6-8-13)14-10(2)20-21-11(3)15(17(22)23)18-19-16(14)21;1-8-13(10-5-6-11(23-3)12(7-10)24-4)15-18-17-14(16(21)22)9(2)20(15)19-8;1-4-23-12-7-5-11(6-8-12)13-9(2)19-20-10(3)14(16(21)22)17-18-15(13)20;1-7-11(9-3-5-10(19)6-4-9)13-16-15-12(14(20)21)8(2)18(13)17-7/h5-8H,4,9H2,1-3H3,(H,22,23);5-7H,1-4H3,(H,21,22);5-8H,4H2,1-3H3,(H,21,22);3-6,19H,1-2H3,(H,20,21).
What are the key properties of 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?
8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid has a molecular weight of 1251.29 g/mol, XLogP of 9.34, 15 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;4,7-dimethyl-8-(4-propoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-ethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid;8-(4-hydroxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid is sourced from PubChem (CID 158162560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).