3-[(aminomethylideneamino)methylideneamino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;azane;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(hydrazinylmethylideneamino)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-imidazol-1-ylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(tetrazol-2-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-1-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-2-yl)acetamide

C86H97Cl6N43O6 — CID 158521208

IUPAC3-[(aminomethylideneamino)methylideneamino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;azane;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(hydrazinylmethylideneamino)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-imidazol-1-ylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(tetrazol-2-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-1-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-2-yl)acetamide
SMILESCCN(C(=O)CC/N=C/N=C/N)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CC/N=C/NN)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCn1ccnc1)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)Cn1ccnn1)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)Cn1nccn1)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)Cn1ncnn1)c1cn(-c2cccnc2)nc1Cl.N
InChIInChI=1S/C16H17ClN6O.C15H18ClN7O.2C14H14ClN7O.C14H18ClN7O.C13H13ClN8O.H3N/c1-2-22(15(24)5-8-21-9-7-19-12-21)14-11-23(20-16(14)17)13-4-3-6-18-10-13;1-2-22(14(24)5-7-19-11-20-10-17)13-9-23(21-15(13)16)12-4-3-6-18-8-12;1-2-21(13(23)10-20-7-6-17-19-20)12-9-22(18-14(12)15)11-4-3-5-16-8-11;1-2-20(13(23)10-22-17-6-7-18-22)12-9-21(19-14(12)15)11-4-3-5-16-8-11;1-2-21(13(23)5-7-18-10-19-16)12-9-22(20-14(12)15)11-4-3-6-17-8-11;1-2-20(12(23)8-22-17-9-16-19-22)11-7-21(18-13(11)14)10-4-3-5-15-6-10;/h3-4,6-7,9-12H,2,5,8H2,1H3;3-4,6,8-11H,2,5,7H2,1H3,(H2,17,19,20);2*3-9H,2,10H2,1H3;3-4,6,8-10H,2,5,7,16H2,1H3,(H,18,19);3-7,9H,2,8H2,1H3;1H3
InChIKeyUXDCQXDEAZJVFI-UHFFFAOYSA-N
MW2041.73 g/mol
LogP9.65
Rot. Bonds35

About 3-[(aminomethylideneamino)methylideneamino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;azane;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(hydrazinylmethylideneamino)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-imidazol-1-ylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(tetrazol-2-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-1-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-2-yl)acetamide

3-[(aminomethylideneamino)methylideneamino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;azane;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(hydrazinylmethylideneamino)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-imidazol-1-ylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(tetrazol-2-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-1-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-2-yl)acetamide (PubChem CID 158521208) has the molecular formula C86H97Cl6N43O6 and a molecular weight of 2041.73 g/mol. Its IUPAC name is 3-[(aminomethylideneamino)methylideneamino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;azane;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(hydrazinylmethylideneamino)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-imidazol-1-ylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(tetrazol-2-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-1-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-2-yl)acetamide.

Molecular Properties

Compound Name3-[(aminomethylideneamino)methylideneamino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;azane;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(hydrazinylmethylideneamino)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-imidazol-1-ylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(tetrazol-2-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-1-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-2-yl)acetamide
PubChem CID158521208
Molecular FormulaC86H97Cl6N43O6
Molecular Weight2041.73 g/mol
Exact Mass2037.67
IUPAC Name3-[(aminomethylideneamino)methylideneamino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;azane;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(hydrazinylmethylideneamino)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-imidazol-1-ylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(tetrazol-2-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-1-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-2-yl)acetamide
SMILESCCN(C(=O)CC/N=C/N=C/N)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CC/N=C/NN)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCn1ccnc1)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)Cn1ccnn1)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)Cn1nccn1)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)Cn1ncnn1)c1cn(-c2cccnc2)nc1Cl.N
InChIInChI=1S/C16H17ClN6O.C15H18ClN7O.2C14H14ClN7O.C14H18ClN7O.C13H13ClN8O.H3N/c1-2-22(15(24)5-8-21-9-7-19-12-21)14-11-23(20-16(14)17)13-4-3-6-18-10-13;1-2-22(14(24)5-7-19-11-20-10-17)13-9-23(21-15(13)16)12-4-3-6-18-8-12;1-2-21(13(23)10-20-7-6-17-19-20)12-9-22(18-14(12)15)11-4-3-5-16-8-11;1-2-20(13(23)10-22-17-6-7-18-22)12-9-21(19-14(12)15)11-4-3-5-16-8-11;1-2-21(13(23)5-7-18-10-19-16)12-9-22(20-14(12)15)11-4-3-6-17-8-11;1-2-20(12(23)8-22-17-9-16-19-22)11-7-21(18-13(11)14)10-4-3-5-15-6-10;/h3-4,6-7,9-12H,2,5,8H2,1H3;3-4,6,8-11H,2,5,7H2,1H3,(H2,17,19,20);2*3-9H,2,10H2,1H3;3-4,6,8-10H,2,5,7,16H2,1H3,(H,18,19);3-7,9H,2,8H2,1H3;1H3
InChIKeyUXDCQXDEAZJVFI-UHFFFAOYSA-N
XLogP9.65
TPSA565.11 Ų
H-Bond Donors4
H-Bond Acceptors40
Rotatable Bonds35
Heavy Atoms141
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002041.73
LogP ≤ 59.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(aminomethylideneamino)methylideneamino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;azane;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(hydrazinylmethylideneamino)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-imidazol-1-ylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(tetrazol-2-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-1-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-2-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(aminomethylideneamino)methylideneamino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;azane;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(hydrazinylmethylideneamino)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-imidazol-1-ylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(tetrazol-2-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-1-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-2-yl)acetamide?
The IUPAC name of 3-[(aminomethylideneamino)methylideneamino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;azane;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(hydrazinylmethylideneamino)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-imidazol-1-ylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(tetrazol-2-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-1-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-2-yl)acetamide (CID 158521208) is 3-[(aminomethylideneamino)methylideneamino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;azane;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(hydrazinylmethylideneamino)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-imidazol-1-ylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(tetrazol-2-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-1-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-2-yl)acetamide.
What is the SMILES notation for 3-[(aminomethylideneamino)methylideneamino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;azane;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(hydrazinylmethylideneamino)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-imidazol-1-ylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(tetrazol-2-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-1-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-2-yl)acetamide?
The canonical SMILES for 3-[(aminomethylideneamino)methylideneamino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;azane;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(hydrazinylmethylideneamino)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-imidazol-1-ylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(tetrazol-2-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-1-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-2-yl)acetamide is CCN(C(=O)CC/N=C/N=C/N)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CC/N=C/NN)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)CCn1ccnc1)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)Cn1ccnn1)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)Cn1nccn1)c1cn(-c2cccnc2)nc1Cl.CCN(C(=O)Cn1ncnn1)c1cn(-c2cccnc2)nc1Cl.N.
What is the InChIKey of 3-[(aminomethylideneamino)methylideneamino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;azane;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(hydrazinylmethylideneamino)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-imidazol-1-ylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(tetrazol-2-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-1-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-2-yl)acetamide?
The InChIKey is UXDCQXDEAZJVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O.C15H18ClN7O.2C14H14ClN7O.C14H18ClN7O.C13H13ClN8O.H3N/c1-2-22(15(24)5-8-21-9-7-19-12-21)14-11-23(20-16(14)17)13-4-3-6-18-10-13;1-2-22(14(24)5-7-19-11-20-10-17)13-9-23(21-15(13)16)12-4-3-6-18-8-12;1-2-21(13(23)10-20-7-6-17-19-20)12-9-22(18-14(12)15)11-4-3-5-16-8-11;1-2-20(13(23)10-22-17-6-7-18-22)12-9-21(19-14(12)15)11-4-3-5-16-8-11;1-2-21(13(23)5-7-18-10-19-16)12-9-22(20-14(12)15)11-4-3-6-17-8-11;1-2-20(12(23)8-22-17-9-16-19-22)11-7-21(18-13(11)14)10-4-3-5-15-6-10;/h3-4,6-7,9-12H,2,5,8H2,1H3;3-4,6,8-11H,2,5,7H2,1H3,(H2,17,19,20);2*3-9H,2,10H2,1H3;3-4,6,8-10H,2,5,7,16H2,1H3,(H,18,19);3-7,9H,2,8H2,1H3;1H3.
What are the key properties of 3-[(aminomethylideneamino)methylideneamino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;azane;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(hydrazinylmethylideneamino)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-imidazol-1-ylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(tetrazol-2-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-1-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-2-yl)acetamide?
3-[(aminomethylideneamino)methylideneamino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;azane;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(hydrazinylmethylideneamino)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-imidazol-1-ylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(tetrazol-2-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-1-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-2-yl)acetamide has a molecular weight of 2041.73 g/mol, XLogP of 9.65, 35 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(aminomethylideneamino)methylideneamino]-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylpropanamide;azane;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-(hydrazinylmethylideneamino)propanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-3-imidazol-1-ylpropanamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(tetrazol-2-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-1-yl)acetamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-(triazol-2-yl)acetamide is sourced from PubChem (CID 158521208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).