N,N-dimethyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide;1-ethyl-5-[[ethyl(propan-2-yl)amino]methyl]-N-propan-2-ylpyrazole-3-carboxamide

C28H50N8O2 — CID 177033572

About N,N-dimethyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide;1-ethyl-5-[[ethyl(propan-2-yl)amino]methyl]-N-propan-2-ylpyrazole-3-carboxamide

N,N-dimethyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide;1-ethyl-5-[[ethyl(propan-2-yl)amino]methyl]-N-propan-2-ylpyrazole-3-carboxamide (PubChem CID 177033572) has the molecular formula C28H50N8O2 and a molecular weight of 530.76 g/mol. Its IUPAC name is N,N-dimethyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide;1-ethyl-5-[[ethyl(propan-2-yl)amino]methyl]-N-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N,N-dimethyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide;1-ethyl-5-[[ethyl(propan-2-yl)amino]methyl]-N-propan-2-ylpyrazole-3-carboxamide
• PubChem CID: 177033572
• Molecular Formula: C28H50N8O2
• Molecular Weight: 530.76 g/mol
• Exact Mass: 530.41
• IUPAC Name: N,N-dimethyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide;1-ethyl-5-[[ethyl(propan-2-yl)amino]methyl]-N-propan-2-ylpyrazole-3-carboxamide
• SMILES: CC(C)N1CCCn2nc(C(=O)N(C)C)cc2C1.CCN(Cc1cc(C(=O)NC(C)C)nn1CC)C(C)C
• InChI: InChI=1S/C15H28N4O.C13H22N4O/c1-7-18(12(5)6)10-13-9-14(17-19(13)8-2)15(20)16-11(3)4;1-10(2)16-6-5-7-17-11(9-16)8-12(14-17)13(18)15(3)4/h9,11-12H,7-8,10H2,1-6H3,(H,16,20);8,10H,5-7,9H2,1-4H3
• InChIKey: OFEBINXABJKCIJ-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 91.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.76
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide;1-ethyl-5-[[ethyl(propan-2-yl)amino]methyl]-N-propan-2-ylpyrazole-3-carboxamide?

The IUPAC name of N,N-dimethyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide;1-ethyl-5-[[ethyl(propan-2-yl)amino]methyl]-N-propan-2-ylpyrazole-3-carboxamide (CID 177033572) is N,N-dimethyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide;1-ethyl-5-[[ethyl(propan-2-yl)amino]methyl]-N-propan-2-ylpyrazole-3-carboxamide.

What is the SMILES notation for N,N-dimethyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide;1-ethyl-5-[[ethyl(propan-2-yl)amino]methyl]-N-propan-2-ylpyrazole-3-carboxamide?

The canonical SMILES for N,N-dimethyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide;1-ethyl-5-[[ethyl(propan-2-yl)amino]methyl]-N-propan-2-ylpyrazole-3-carboxamide is CC(C)N1CCCn2nc(C(=O)N(C)C)cc2C1.CCN(Cc1cc(C(=O)NC(C)C)nn1CC)C(C)C.

What is the InChIKey of N,N-dimethyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide;1-ethyl-5-[[ethyl(propan-2-yl)amino]methyl]-N-propan-2-ylpyrazole-3-carboxamide?

The InChIKey is OFEBINXABJKCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O.C13H22N4O/c1-7-18(12(5)6)10-13-9-14(17-19(13)8-2)15(20)16-11(3)4;1-10(2)16-6-5-7-17-11(9-16)8-12(14-17)13(18)15(3)4/h9,11-12H,7-8,10H2,1-6H3,(H,16,20);8,10H,5-7,9H2,1-4H3.

What are the key properties of N,N-dimethyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide;1-ethyl-5-[[ethyl(propan-2-yl)amino]methyl]-N-propan-2-ylpyrazole-3-carboxamide?

N,N-dimethyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide;1-ethyl-5-[[ethyl(propan-2-yl)amino]methyl]-N-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 530.76 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide;1-ethyl-5-[[ethyl(propan-2-yl)amino]methyl]-N-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 177033572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).