3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane

C32H43N14O5P — CID 159603507

IUPAC3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane
SMILESCC(C)n1cnnc1-c1cccc(N)n1.COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.COc1nn(C)cc1C(=O)O.[3H]P([3H])[3H]
InChIInChI=1S/C16H19N7O2.C10H13N5.C6H8N2O3.H3P/c1-10(2)23-9-17-20-14(23)12-6-5-7-13(18-12)19-15(24)11-8-22(3)21-16(11)25-4;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;1-8-3-4(6(9)10)5(7-8)11-2;/h5-10H,1-4H3,(H,18,19,24);3-7H,1-2H3,(H2,11,13);3H,1-2H3,(H,9,10);1H3/i;;;1T3
InChIKeyMLUDJXUVHMKPJS-XNZQYOTMSA-N
MW740.79 g/mol
LogP3.60
Rot. Bonds9

About 3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane

3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane (PubChem CID 159603507) has the molecular formula C32H43N14O5P and a molecular weight of 740.79 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane
PubChem CID159603507
Molecular FormulaC32H43N14O5P
Molecular Weight740.79 g/mol
Exact Mass740.35
IUPAC Name3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane
SMILESCC(C)n1cnnc1-c1cccc(N)n1.COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.COc1nn(C)cc1C(=O)O.[3H]P([3H])[3H]
InChIInChI=1S/C16H19N7O2.C10H13N5.C6H8N2O3.H3P/c1-10(2)23-9-17-20-14(23)12-6-5-7-13(18-12)19-15(24)11-8-22(3)21-16(11)25-4;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;1-8-3-4(6(9)10)5(7-8)11-2;/h5-10H,1-4H3,(H,18,19,24);3-7H,1-2H3,(H2,11,13);3H,1-2H3,(H,9,10);1H3/i;;;1T3
InChIKeyMLUDJXUVHMKPJS-XNZQYOTMSA-N
XLogP3.60
TPSA233.72 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.79
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-(6-(4-Isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-3-methoxy-1-(pyrazin-2-yl)-1H-pyrazole-4-carboxamide
CID 146027049
3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridin-2-yl]pyrazole-4-carboxamide
CID 146381559
3-methoxy-1-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
CID 146381268
3-methoxy-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
CID 146381271
1-ethyl-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 146381276
N-[6-[4-(1-hydroxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 146381283
N-[6-[4-(2,2-difluorocyclobutyl)-1,2,4-triazol-3-yl]pyridin-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 146381286
3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-3-ylpyrazole-4-carboxamide
CID 146381295
3-methoxy-N-[6-[4-[(2R)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide
CID 146381344
1-ethyl-3-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
CID 146381346
3-methoxy-1-methyl-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 146381369
3-methoxy-1-pyrazin-2-yl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
CID 146381371

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane?
The IUPAC name of 3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane (CID 159603507) is 3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane.
What is the SMILES notation for 3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane?
The canonical SMILES for 3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane is CC(C)n1cnnc1-c1cccc(N)n1.COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.COc1nn(C)cc1C(=O)O.[3H]P([3H])[3H].
What is the InChIKey of 3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane?
The InChIKey is MLUDJXUVHMKPJS-XNZQYOTMSA-N. The full InChI is InChI=1S/C16H19N7O2.C10H13N5.C6H8N2O3.H3P/c1-10(2)23-9-17-20-14(23)12-6-5-7-13(18-12)19-15(24)11-8-22(3)21-16(11)25-4;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;1-8-3-4(6(9)10)5(7-8)11-2;/h5-10H,1-4H3,(H,18,19,24);3-7H,1-2H3,(H2,11,13);3H,1-2H3,(H,9,10);1H3/i;;;1T3.
What are the key properties of 3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane?
3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane has a molecular weight of 740.79 g/mol, XLogP of 3.60, 9 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-methoxy-1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane is sourced from PubChem (CID 159603507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).