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

C34H47N14O5P — CID 161265390

IUPAC3-ethoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-ethoxy-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.CCOc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.CCOc1nn(C)cc1C(=O)O.[3H]P([3H])[3H]
InChIInChI=1S/C17H21N7O2.C10H13N5.C7H10N2O3.H3P/c1-5-26-17-12(9-23(4)22-17)16(25)20-14-8-6-7-13(19-14)15-21-18-10-24(15)11(2)3;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;1-3-12-6-5(7(10)11)4-9(2)8-6;/h6-11H,5H2,1-4H3,(H,19,20,25);3-7H,1-2H3,(H2,11,13);4H,3H2,1-2H3,(H,10,11);1H3/i;;;1T3
InChIKeyVDCNQYDUCUIZRL-XNZQYOTMSA-N
MW768.84 g/mol
LogP4.38
Rot. Bonds11

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

3-ethoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-ethoxy-1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane (PubChem CID 161265390) has the molecular formula C34H47N14O5P and a molecular weight of 768.84 g/mol. Its IUPAC name is 3-ethoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-ethoxy-1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane.

Molecular Properties

Compound Name3-ethoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-ethoxy-1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane
PubChem CID161265390
Molecular FormulaC34H47N14O5P
Molecular Weight768.84 g/mol
Exact Mass768.38
IUPAC Name3-ethoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-ethoxy-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.CCOc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.CCOc1nn(C)cc1C(=O)O.[3H]P([3H])[3H]
InChIInChI=1S/C17H21N7O2.C10H13N5.C7H10N2O3.H3P/c1-5-26-17-12(9-23(4)22-17)16(25)20-14-8-6-7-13(19-14)15-21-18-10-24(15)11(2)3;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;1-3-12-6-5(7(10)11)4-9(2)8-6;/h6-11H,5H2,1-4H3,(H,19,20,25);3-7H,1-2H3,(H2,11,13);4H,3H2,1-2H3,(H,10,11);1H3/i;;;1T3
InChIKeyVDCNQYDUCUIZRL-XNZQYOTMSA-N
XLogP4.38
TPSA233.72 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.84
LogP ≤ 54.38
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
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
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
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
3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyrimidin-5-ylpyrazole-4-carboxamide
CID 146381377
3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 146381565
3-methoxy-1-methyl-N-[6-[4-[(3R)-oxolan-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
CID 146381583
3-methoxy-1-methyl-N-[6-[4-[(3S)-oxolan-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
CID 146381589
3-methoxy-1-pyridazin-3-yl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
CID 146381590
1-[5-(dimethylamino)-3-pyridinyl]-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 146381598

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-ethoxy-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-ethoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-ethoxy-1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane (CID 161265390) is 3-ethoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-ethoxy-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-ethoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-ethoxy-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-ethoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-ethoxy-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.CCOc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.CCOc1nn(C)cc1C(=O)O.[3H]P([3H])[3H].
What is the InChIKey of 3-ethoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-ethoxy-1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane?
The InChIKey is VDCNQYDUCUIZRL-XNZQYOTMSA-N. The full InChI is InChI=1S/C17H21N7O2.C10H13N5.C7H10N2O3.H3P/c1-5-26-17-12(9-23(4)22-17)16(25)20-14-8-6-7-13(19-14)15-21-18-10-24(15)11(2)3;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;1-3-12-6-5(7(10)11)4-9(2)8-6;/h6-11H,5H2,1-4H3,(H,19,20,25);3-7H,1-2H3,(H2,11,13);4H,3H2,1-2H3,(H,10,11);1H3/i;;;1T3.
What are the key properties of 3-ethoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-ethoxy-1-methylpyrazole-4-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine;tritritiophosphane?
3-ethoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-ethoxy-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 768.84 g/mol, XLogP of 4.38, 11 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide;3-ethoxy-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 161265390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).