4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid

C59H63N15O12 — CID 161304250

IUPAC4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid
SMILESCOc1ccnc(-c2cnn(C)c2C(=O)CO)c1.COc1ccnc(-c2cnn(C)c2C(=O)O)c1.Cc1cc(C)nc(-c2cnn(C)c2C(=O)CO)c1.Cc1cc(C)nc(-c2cnn(C)c2C(=O)O)c1.Cc1ccnc(-c2cnn(C)c2C(=O)O)c1
InChIInChI=1S/C13H15N3O2.C12H13N3O3.C12H13N3O2.C11H11N3O3.C11H11N3O2/c1-8-4-9(2)15-11(5-8)10-6-14-16(3)13(10)12(18)7-17;1-15-12(11(17)7-16)9(6-14-15)10-5-8(18-2)3-4-13-10;1-7-4-8(2)14-10(5-7)9-6-13-15(3)11(9)12(16)17;1-14-10(11(15)16)8(6-13-14)9-5-7(17-2)3-4-12-9;1-7-3-4-12-9(5-7)8-6-13-14(2)10(8)11(15)16/h4-6,17H,7H2,1-3H3;3-6,16H,7H2,1-2H3;4-6H,1-3H3,(H,16,17);3-6H,1-2H3,(H,15,16);3-6H,1-2H3,(H,15,16)
InChIKeyVIANLUXUPSRRCE-UHFFFAOYSA-N
MW1174.25 g/mol
LogP6.41
Rot. Bonds14

About 4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid

4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid (PubChem CID 161304250) has the molecular formula C59H63N15O12 and a molecular weight of 1174.25 g/mol. Its IUPAC name is 4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid
PubChem CID161304250
Molecular FormulaC59H63N15O12
Molecular Weight1174.25 g/mol
Exact Mass1173.48
IUPAC Name4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid
SMILESCOc1ccnc(-c2cnn(C)c2C(=O)CO)c1.COc1ccnc(-c2cnn(C)c2C(=O)O)c1.Cc1cc(C)nc(-c2cnn(C)c2C(=O)CO)c1.Cc1cc(C)nc(-c2cnn(C)c2C(=O)O)c1.Cc1ccnc(-c2cnn(C)c2C(=O)O)c1
InChIInChI=1S/C13H15N3O2.C12H13N3O3.C12H13N3O2.C11H11N3O3.C11H11N3O2/c1-8-4-9(2)15-11(5-8)10-6-14-16(3)13(10)12(18)7-17;1-15-12(11(17)7-16)9(6-14-15)10-5-8(18-2)3-4-13-10;1-7-4-8(2)14-10(5-7)9-6-13-15(3)11(9)12(16)17;1-14-10(11(15)16)8(6-13-14)9-5-7(17-2)3-4-12-9;1-7-3-4-12-9(5-7)8-6-13-14(2)10(8)11(15)16/h4-6,17H,7H2,1-3H3;3-6,16H,7H2,1-2H3;4-6H,1-3H3,(H,16,17);3-6H,1-2H3,(H,15,16);3-6H,1-2H3,(H,15,16)
InChIKeyVIANLUXUPSRRCE-UHFFFAOYSA-N
XLogP6.41
TPSA358.51 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms86
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001174.25
LogP ≤ 56.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze 4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid?
The IUPAC name of 4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid (CID 161304250) is 4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid is COc1ccnc(-c2cnn(C)c2C(=O)CO)c1.COc1ccnc(-c2cnn(C)c2C(=O)O)c1.Cc1cc(C)nc(-c2cnn(C)c2C(=O)CO)c1.Cc1cc(C)nc(-c2cnn(C)c2C(=O)O)c1.Cc1ccnc(-c2cnn(C)c2C(=O)O)c1.
What is the InChIKey of 4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid?
The InChIKey is VIANLUXUPSRRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2.C12H13N3O3.C12H13N3O2.C11H11N3O3.C11H11N3O2/c1-8-4-9(2)15-11(5-8)10-6-14-16(3)13(10)12(18)7-17;1-15-12(11(17)7-16)9(6-14-15)10-5-8(18-2)3-4-13-10;1-7-4-8(2)14-10(5-7)9-6-13-15(3)11(9)12(16)17;1-14-10(11(15)16)8(6-13-14)9-5-7(17-2)3-4-12-9;1-7-3-4-12-9(5-7)8-6-13-14(2)10(8)11(15)16/h4-6,17H,7H2,1-3H3;3-6,16H,7H2,1-2H3;4-6H,1-3H3,(H,16,17);3-6H,1-2H3,(H,15,16);3-6H,1-2H3,(H,15,16).
What are the key properties of 4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid?
4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid has a molecular weight of 1174.25 g/mol, XLogP of 6.41, 14 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methyl-2-pyridinyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 161304250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).