4-ethyl-N,5-dimethyl-6-pyrazol-1-ylpyridine-2-carboxamide;4-ethyl-5-methyl-6-pyrazol-1-ylpyridine-2-carboxylic acid;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;methanamine;1-methyl-3-(4-methylphenyl)pyrazole;(3R,4S)-4-methyloxan-3-ol;molecular iodine
C69H86I2N16O8 — CID 158662543
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-ethyl-N,5-dimethyl-6-pyrazol-1-ylpyridine-2-carboxamide;4-ethyl-5-methyl-6-pyrazol-1-ylpyridine-2-carboxylic acid;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;methanamine;1-methyl-3-(4-methylphenyl)pyrazole;(3R,4S)-4-methyloxan-3-ol;molecular iodine
SMILESCCc1cc(C(=O)NC)nc(-n2cccn2)c1C.CCc1cc(C(=O)O)nc(-n2cccn2)c1C.CN.C[C@H]1CCOC[C@@H]1O.Cc1c(Cc2ccc(-c3ccn(C)n3)cc2)cc(C(=O)N[C@H]2CCOC[C@@H]2O)nc1-n1cccn1.Cc1ccc(-c2ccn(C)n2)cc1.II
InChIInChI=1S/C26H28N6O3.C13H16N4O.C12H13N3O2.C11H12N2.C6H12O2.CH5N.I2/c1-17-20(14-18-4-6-19(7-5-18)21-8-12-31(2)30-21)15-23(28-25(17)32-11-3-10-27-32)26(34)29-22-9-13-35-16-24(22)33;1-4-10-8-11(13(18)14-3)16-12(9(10)2)17-7-5-6-15-17;1-3-9-7-10(12(16)17)14-11(8(9)2)15-6-4-5-13-15;1-9-3-5-10(6-4-9)11-7-8-13(2)12-11;1-5-2-3-8-4-6(5)7;2*1-2/h3-8,10-12,15,22,24,33H,9,13-14,16H2,1-2H3,(H,29,34);5-8H,4H2,1-3H3,(H,14,18);4-7H,3H2,1-2H3,(H,16,17);3-8H,1-2H3;5-7H,2-4H2,1H3;2H2,1H3;/t22-,24-;;;;5-,6-;;/m0...0../s1
InChIKeyICXYDHNDHQOFLL-SWWZECRBSA-N
MW1521.36 g/mol
LogP9.93
Rot. Bonds13
About 4-ethyl-N,5-dimethyl-6-pyrazol-1-ylpyridine-2-carboxamide;4-ethyl-5-methyl-6-pyrazol-1-ylpyridine-2-carboxylic acid;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;methanamine;1-methyl-3-(4-methylphenyl)pyrazole;(3R,4S)-4-methyloxan-3-ol;molecular iodine
4-ethyl-N,5-dimethyl-6-pyrazol-1-ylpyridine-2-carboxamide;4-ethyl-5-methyl-6-pyrazol-1-ylpyridine-2-carboxylic acid;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;methanamine;1-methyl-3-(4-methylphenyl)pyrazole;(3R,4S)-4-methyloxan-3-ol;molecular iodine (PubChem CID 158662543) has the molecular formula C69H86I2N16O8 and a molecular weight of 1521.36 g/mol. Its IUPAC name is 4-ethyl-N,5-dimethyl-6-pyrazol-1-ylpyridine-2-carboxamide;4-ethyl-5-methyl-6-pyrazol-1-ylpyridine-2-carboxylic acid;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;methanamine;1-methyl-3-(4-methylphenyl)pyrazole;(3R,4S)-4-methyloxan-3-ol;molecular iodine.
Molecular Properties
| Compound Name | 4-ethyl-N,5-dimethyl-6-pyrazol-1-ylpyridine-2-carboxamide;4-ethyl-5-methyl-6-pyrazol-1-ylpyridine-2-carboxylic acid;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;methanamine;1-methyl-3-(4-methylphenyl)pyrazole;(3R,4S)-4-methyloxan-3-ol;molecular iodine |
|---|---|
| PubChem CID | 158662543 |
| Molecular Formula | C69H86I2N16O8 |
| Molecular Weight | 1521.36 g/mol |
| Exact Mass | 1520.49 |
| IUPAC Name | 4-ethyl-N,5-dimethyl-6-pyrazol-1-ylpyridine-2-carboxamide;4-ethyl-5-methyl-6-pyrazol-1-ylpyridine-2-carboxylic acid;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;methanamine;1-methyl-3-(4-methylphenyl)pyrazole;(3R,4S)-4-methyloxan-3-ol;molecular iodine |
| SMILES | CCc1cc(C(=O)NC)nc(-n2cccn2)c1C.CCc1cc(C(=O)O)nc(-n2cccn2)c1C.CN.C[C@H]1CCOC[C@@H]1O.Cc1c(Cc2ccc(-c3ccn(C)n3)cc2)cc(C(=O)N[C@H]2CCOC[C@@H]2O)nc1-n1cccn1.Cc1ccc(-c2ccn(C)n2)cc1.II |
| InChI | InChI=1S/C26H28N6O3.C13H16N4O.C12H13N3O2.C11H12N2.C6H12O2.CH5N.I2/c1-17-20(14-18-4-6-19(7-5-18)21-8-12-31(2)30-21)15-23(28-25(17)32-11-3-10-27-32)26(34)29-22-9-13-35-16-24(22)33;1-4-10-8-11(13(18)14-3)16-12(9(10)2)17-7-5-6-15-17;1-3-9-7-10(12(16)17)14-11(8(9)2)15-6-4-5-13-15;1-9-3-5-10(6-4-9)11-7-8-13(2)12-11;1-5-2-3-8-4-6(5)7;2*1-2/h3-8,10-12,15,22,24,33H,9,13-14,16H2,1-2H3,(H,29,34);5-8H,4H2,1-3H3,(H,14,18);4-7H,3H2,1-2H3,(H,16,17);3-8H,1-2H3;5-7H,2-4H2,1H3;2H2,1H3;/t22-,24-;;;;5-,6-;;/m0...0../s1 |
| InChIKey | ICXYDHNDHQOFLL-SWWZECRBSA-N |
| XLogP | 9.93 |
| TPSA | 308.21 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 95 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1521.36 |
| LogP ≤ 5 | 9.93 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 21 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'iodine', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 4-ethyl-N,5-dimethyl-6-pyrazol-1-ylpyridine-2-carboxamide;4-ethyl-5-methyl-6-pyrazol-1-ylpyridine-2-carboxylic acid;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;methanamine;1-methyl-3-(4-methylphenyl)pyrazole;(3R,4S)-4-methyloxan-3-ol;molecular iodine?
The IUPAC name of 4-ethyl-N,5-dimethyl-6-pyrazol-1-ylpyridine-2-carboxamide;4-ethyl-5-methyl-6-pyrazol-1-ylpyridine-2-carboxylic acid;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;methanamine;1-methyl-3-(4-methylphenyl)pyrazole;(3R,4S)-4-methyloxan-3-ol;molecular iodine (CID 158662543) is 4-ethyl-N,5-dimethyl-6-pyrazol-1-ylpyridine-2-carboxamide;4-ethyl-5-methyl-6-pyrazol-1-ylpyridine-2-carboxylic acid;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;methanamine;1-methyl-3-(4-methylphenyl)pyrazole;(3R,4S)-4-methyloxan-3-ol;molecular iodine.
What is the SMILES notation for 4-ethyl-N,5-dimethyl-6-pyrazol-1-ylpyridine-2-carboxamide;4-ethyl-5-methyl-6-pyrazol-1-ylpyridine-2-carboxylic acid;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;methanamine;1-methyl-3-(4-methylphenyl)pyrazole;(3R,4S)-4-methyloxan-3-ol;molecular iodine?
The canonical SMILES for 4-ethyl-N,5-dimethyl-6-pyrazol-1-ylpyridine-2-carboxamide;4-ethyl-5-methyl-6-pyrazol-1-ylpyridine-2-carboxylic acid;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;methanamine;1-methyl-3-(4-methylphenyl)pyrazole;(3R,4S)-4-methyloxan-3-ol;molecular iodine is CCc1cc(C(=O)NC)nc(-n2cccn2)c1C.CCc1cc(C(=O)O)nc(-n2cccn2)c1C.CN.C[C@H]1CCOC[C@@H]1O.Cc1c(Cc2ccc(-c3ccn(C)n3)cc2)cc(C(=O)N[C@H]2CCOC[C@@H]2O)nc1-n1cccn1.Cc1ccc(-c2ccn(C)n2)cc1.II.
What is the InChIKey of 4-ethyl-N,5-dimethyl-6-pyrazol-1-ylpyridine-2-carboxamide;4-ethyl-5-methyl-6-pyrazol-1-ylpyridine-2-carboxylic acid;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;methanamine;1-methyl-3-(4-methylphenyl)pyrazole;(3R,4S)-4-methyloxan-3-ol;molecular iodine?
The InChIKey is ICXYDHNDHQOFLL-SWWZECRBSA-N. The full InChI is InChI=1S/C26H28N6O3.C13H16N4O.C12H13N3O2.C11H12N2.C6H12O2.CH5N.I2/c1-17-20(14-18-4-6-19(7-5-18)21-8-12-31(2)30-21)15-23(28-25(17)32-11-3-10-27-32)26(34)29-22-9-13-35-16-24(22)33;1-4-10-8-11(13(18)14-3)16-12(9(10)2)17-7-5-6-15-17;1-3-9-7-10(12(16)17)14-11(8(9)2)15-6-4-5-13-15;1-9-3-5-10(6-4-9)11-7-8-13(2)12-11;1-5-2-3-8-4-6(5)7;2*1-2/h3-8,10-12,15,22,24,33H,9,13-14,16H2,1-2H3,(H,29,34);5-8H,4H2,1-3H3,(H,14,18);4-7H,3H2,1-2H3,(H,16,17);3-8H,1-2H3;5-7H,2-4H2,1H3;2H2,1H3;/t22-,24-;;;;5-,6-;;/m0...0../s1.
What are the key properties of 4-ethyl-N,5-dimethyl-6-pyrazol-1-ylpyridine-2-carboxamide;4-ethyl-5-methyl-6-pyrazol-1-ylpyridine-2-carboxylic acid;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;methanamine;1-methyl-3-(4-methylphenyl)pyrazole;(3R,4S)-4-methyloxan-3-ol;molecular iodine?
4-ethyl-N,5-dimethyl-6-pyrazol-1-ylpyridine-2-carboxamide;4-ethyl-5-methyl-6-pyrazol-1-ylpyridine-2-carboxylic acid;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;methanamine;1-methyl-3-(4-methylphenyl)pyrazole;(3R,4S)-4-methyloxan-3-ol;molecular iodine has a molecular weight of 1521.36 g/mol, XLogP of 9.93, 13 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N,5-dimethyl-6-pyrazol-1-ylpyridine-2-carboxamide;4-ethyl-5-methyl-6-pyrazol-1-ylpyridine-2-carboxylic acid;N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;methanamine;1-methyl-3-(4-methylphenyl)pyrazole;(3R,4S)-4-methyloxan-3-ol;molecular iodine is sourced from PubChem (CID 158662543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158662543 — identifiers, structure, computed properties (public domain)
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