4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylic acid

C63H64Cl2N24O14 — CID 158696018

IUPAC4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylic acid
SMILESCOc1cncc(-c2cnn(C)c2C(=O)CO)n1.COc1cncc(-c2cnn(C)c2C(=O)O)n1.Cc1ccnc(-c2cnn(C)c2C(=O)CO)n1.Cc1ccnc(-c2cnn(C)c2C(=O)O)n1.Cc1ncc(Cl)c(-c2cnn(C)c2C(=O)CO)n1.Cc1ncc(Cl)c(-c2cnn(C)c2C(=O)O)n1
InChIInChI=1S/C11H11ClN4O2.C11H12N4O3.C11H12N4O2.C10H9ClN4O2.C10H10N4O3.C10H10N4O2/c1-6-13-4-8(12)10(15-6)7-3-14-16(2)11(7)9(18)5-17;1-15-11(9(17)6-16)7(3-13-15)8-4-12-5-10(14-8)18-2;1-7-3-4-12-11(14-7)8-5-13-15(2)10(8)9(17)6-16;1-5-12-4-7(11)8(14-5)6-3-13-15(2)9(6)10(16)17;1-14-9(10(15)16)6(3-12-14)7-4-11-5-8(13-7)17-2;1-6-3-4-11-9(13-6)7-5-12-14(2)8(7)10(15)16/h3-4,17H,5H2,1-2H3;3-5,16H,6H2,1-2H3;3-5,16H,6H2,1-2H3;3-4H,1-2H3,(H,16,17);3-5H,1-2H3,(H,15,16);3-5H,1-2H3,(H,15,16)
InChIKeyIGYLCHXSXBBDDQ-UHFFFAOYSA-N
MW1452.26 g/mol
LogP4.44
Rot. Bonds17

About 4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylic acid

4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylic acid (PubChem CID 158696018) has the molecular formula C63H64Cl2N24O14 and a molecular weight of 1452.26 g/mol. Its IUPAC name is 4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylic acid
PubChem CID158696018
Molecular FormulaC63H64Cl2N24O14
Molecular Weight1452.26 g/mol
Exact Mass1450.44
IUPAC Name4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylic acid
SMILESCOc1cncc(-c2cnn(C)c2C(=O)CO)n1.COc1cncc(-c2cnn(C)c2C(=O)O)n1.Cc1ccnc(-c2cnn(C)c2C(=O)CO)n1.Cc1ccnc(-c2cnn(C)c2C(=O)O)n1.Cc1ncc(Cl)c(-c2cnn(C)c2C(=O)CO)n1.Cc1ncc(Cl)c(-c2cnn(C)c2C(=O)O)n1
InChIInChI=1S/C11H11ClN4O2.C11H12N4O3.C11H12N4O2.C10H9ClN4O2.C10H10N4O3.C10H10N4O2/c1-6-13-4-8(12)10(15-6)7-3-14-16(2)11(7)9(18)5-17;1-15-11(9(17)6-16)7(3-13-15)8-4-12-5-10(14-8)18-2;1-7-3-4-12-11(14-7)8-5-13-15(2)10(8)9(17)6-16;1-5-12-4-7(11)8(14-5)6-3-13-15(2)9(6)10(16)17;1-14-9(10(15)16)6(3-12-14)7-4-11-5-8(13-7)17-2;1-6-3-4-11-9(13-6)7-5-12-14(2)8(7)10(15)16/h3-4,17H,5H2,1-2H3;3-5,16H,6H2,1-2H3;3-5,16H,6H2,1-2H3;3-4H,1-2H3,(H,16,17);3-5H,1-2H3,(H,15,16);3-5H,1-2H3,(H,15,16)
InChIKeyIGYLCHXSXBBDDQ-UHFFFAOYSA-N
XLogP4.44
TPSA503.86 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds17
Heavy Atoms103
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001452.26
LogP ≤ 54.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Analyze 4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylic acid?
The IUPAC name of 4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylic acid (CID 158696018) is 4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylic acid?
The canonical SMILES for 4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylic acid is COc1cncc(-c2cnn(C)c2C(=O)CO)n1.COc1cncc(-c2cnn(C)c2C(=O)O)n1.Cc1ccnc(-c2cnn(C)c2C(=O)CO)n1.Cc1ccnc(-c2cnn(C)c2C(=O)O)n1.Cc1ncc(Cl)c(-c2cnn(C)c2C(=O)CO)n1.Cc1ncc(Cl)c(-c2cnn(C)c2C(=O)O)n1.
What is the InChIKey of 4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylic acid?
The InChIKey is IGYLCHXSXBBDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2.C11H12N4O3.C11H12N4O2.C10H9ClN4O2.C10H10N4O3.C10H10N4O2/c1-6-13-4-8(12)10(15-6)7-3-14-16(2)11(7)9(18)5-17;1-15-11(9(17)6-16)7(3-13-15)8-4-12-5-10(14-8)18-2;1-7-3-4-12-11(14-7)8-5-13-15(2)10(8)9(17)6-16;1-5-12-4-7(11)8(14-5)6-3-13-15(2)9(6)10(16)17;1-14-9(10(15)16)6(3-12-14)7-4-11-5-8(13-7)17-2;1-6-3-4-11-9(13-6)7-5-12-14(2)8(7)10(15)16/h3-4,17H,5H2,1-2H3;3-5,16H,6H2,1-2H3;3-5,16H,6H2,1-2H3;3-4H,1-2H3,(H,16,17);3-5H,1-2H3,(H,15,16);3-5H,1-2H3,(H,15,16).
What are the key properties of 4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylic acid?
4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylic acid has a molecular weight of 1452.26 g/mol, XLogP of 4.44, 17 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 158696018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).