4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-N,N-diethylpyridin-2-amine;3-[5-[4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-pyridinyl]propan-1-ol;4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)pyridin-2-amine;7-(5-phenyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-N-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridine-2,5-diamine

C96H115N23O — CID 161053804

About 4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-N,N-diethylpyridin-2-amine;3-[5-[4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-pyridinyl]propan-1-ol;4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)pyridin-2-amine;7-(5-phenyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-N-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridine-2,5-diamine

4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-N,N-diethylpyridin-2-amine;3-[5-[4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-pyridinyl]propan-1-ol;4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)pyridin-2-amine;7-(5-phenyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-N-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridine-2,5-diamine (PubChem CID 161053804) has the molecular formula C96H115N23O and a molecular weight of 1607.14 g/mol. Its IUPAC name is 4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-N,N-diethylpyridin-2-amine;3-[5-[4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-pyridinyl]propan-1-ol;4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)pyridin-2-amine;7-(5-phenyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-N-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridine-2,5-diamine.

Molecular Properties

• Compound Name: 4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-N,N-diethylpyridin-2-amine;3-[5-[4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-pyridinyl]propan-1-ol;4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)pyridin-2-amine;7-(5-phenyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-N-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridine-2,5-diamine
• PubChem CID: 161053804
• Molecular Formula: C96H115N23O
• Molecular Weight: 1607.14 g/mol
• Exact Mass: 1605.97
• IUPAC Name: 4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-N,N-diethylpyridin-2-amine;3-[5-[4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-pyridinyl]propan-1-ol;4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)pyridin-2-amine;7-(5-phenyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-N-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridine-2,5-diamine
• SMILES: C=CC1NN=CC1C1=CNC(c2ccc(CCCO)nc2)C=C1CCCC.C=CC1NN=CC1c1cnc(N(CC)CC)cc1CCCC.C=CC1NN=CC1c1cnc(N)cc1CCCC.Nc1ccc(Nc2nc3ccc4[nH]ncc4c3c3c2CCCC3)cn1.c1ccc(-c2[nH]ncc2-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1
• InChI: InChI=1S/C23H19N5.C22H30N4O.C19H18N6.C18H28N4.C14H20N4/c1-2-6-14(7-3-1)22-18(13-25-28-22)23-16-9-5-4-8-15(16)21-17-12-24-27-19(17)10-11-20(21)26-23;1-3-5-7-16-12-22(17-9-10-18(23-13-17)8-6-11-27)24-14-19(16)20-15-25-26-21(20)4-2;20-17-8-5-11(9-21-17)23-19-13-4-2-1-3-12(13)18-14-10-22-25-15(14)6-7-16(18)24-19;1-5-9-10-14-11-18(22(7-3)8-4)19-12-15(14)16-13-20-21-17(16)6-2;1-3-5-6-10-7-14(15)16-8-11(10)12-9-17-18-13(12)4-2/h1-3,6-7,10-13H,4-5,8-9H2,(H,24,27)(H,25,28);4,9-10,12-15,20-22,24,26-27H,2-3,5-8,11H2,1H3;5-10H,1-4H2,(H2,20,21)(H,22,25)(H,23,24);6,11-13,16-17,21H,2,5,7-10H2,1,3-4H3;4,7-9,12-13,18H,2-3,5-6H2,1H3,(H2,15,16)
• InChIKey: UCMCULKMFWWNCN-UHFFFAOYSA-N
• XLogP: 17.90
• TPSA: 336.12 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 21
• Rotatable Bonds: 26
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1607.14
LogP ≤ 5	17.90
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-N,N-diethylpyridin-2-amine;3-[5-[4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-pyridinyl]propan-1-ol;4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)pyridin-2-amine;7-(5-phenyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-N-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridine-2,5-diamine?

The IUPAC name of 4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-N,N-diethylpyridin-2-amine;3-[5-[4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-pyridinyl]propan-1-ol;4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)pyridin-2-amine;7-(5-phenyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-N-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridine-2,5-diamine (CID 161053804) is 4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-N,N-diethylpyridin-2-amine;3-[5-[4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-pyridinyl]propan-1-ol;4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)pyridin-2-amine;7-(5-phenyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-N-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridine-2,5-diamine.

What is the SMILES notation for 4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-N,N-diethylpyridin-2-amine;3-[5-[4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-pyridinyl]propan-1-ol;4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)pyridin-2-amine;7-(5-phenyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-N-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridine-2,5-diamine?

The canonical SMILES for 4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-N,N-diethylpyridin-2-amine;3-[5-[4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-pyridinyl]propan-1-ol;4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)pyridin-2-amine;7-(5-phenyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-N-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridine-2,5-diamine is C=CC1NN=CC1C1=CNC(c2ccc(CCCO)nc2)C=C1CCCC.C=CC1NN=CC1c1cnc(N(CC)CC)cc1CCCC.C=CC1NN=CC1c1cnc(N)cc1CCCC.Nc1ccc(Nc2nc3ccc4[nH]ncc4c3c3c2CCCC3)cn1.c1ccc(-c2[nH]ncc2-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.

What is the InChIKey of 4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-N,N-diethylpyridin-2-amine;3-[5-[4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-pyridinyl]propan-1-ol;4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)pyridin-2-amine;7-(5-phenyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-N-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridine-2,5-diamine?

The InChIKey is UCMCULKMFWWNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5.C22H30N4O.C19H18N6.C18H28N4.C14H20N4/c1-2-6-14(7-3-1)22-18(13-25-28-22)23-16-9-5-4-8-15(16)21-17-12-24-27-19(17)10-11-20(21)26-23;1-3-5-7-16-12-22(17-9-10-18(23-13-17)8-6-11-27)24-14-19(16)20-15-25-26-21(20)4-2;20-17-8-5-11(9-21-17)23-19-13-4-2-1-3-12(13)18-14-10-22-25-15(14)6-7-16(18)24-19;1-5-9-10-14-11-18(22(7-3)8-4)19-12-15(14)16-13-20-21-17(16)6-2;1-3-5-6-10-7-14(15)16-8-11(10)12-9-17-18-13(12)4-2/h1-3,6-7,10-13H,4-5,8-9H2,(H,24,27)(H,25,28);4,9-10,12-15,20-22,24,26-27H,2-3,5-8,11H2,1H3;5-10H,1-4H2,(H2,20,21)(H,22,25)(H,23,24);6,11-13,16-17,21H,2,5,7-10H2,1,3-4H3;4,7-9,12-13,18H,2-3,5-6H2,1H3,(H2,15,16).

What are the key properties of 4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-N,N-diethylpyridin-2-amine;3-[5-[4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-pyridinyl]propan-1-ol;4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)pyridin-2-amine;7-(5-phenyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-N-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridine-2,5-diamine?

4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-N,N-diethylpyridin-2-amine;3-[5-[4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-pyridinyl]propan-1-ol;4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)pyridin-2-amine;7-(5-phenyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-N-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridine-2,5-diamine has a molecular weight of 1607.14 g/mol, XLogP of 17.90, 26 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-N,N-diethylpyridin-2-amine;3-[5-[4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-1,2-dihydropyridin-2-yl]-2-pyridinyl]propan-1-ol;4-butyl-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)pyridin-2-amine;7-(5-phenyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;5-N-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridine-2,5-diamine is sourced from PubChem (CID 161053804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).