5-amino-N-ethoxy-2-methyl-N-propyl-6H-pyrazolo[4,3-b]azepine-7-carboxamide;ethane

C16H27N5O2 — CID 162731249

IUPAC5-amino-N-ethoxy-2-methyl-N-propyl-6H-pyrazolo[4,3-b]azepine-7-carboxamide;ethane
SMILESCC.CCCN(OCC)C(=O)C1=Cc2nn(C)cc2N=C(N)C1
InChIInChI=1S/C14H21N5O2.C2H6/c1-4-6-19(21-5-2)14(20)10-7-11-12(9-18(3)17-11)16-13(15)8-10;1-2/h7,9H,4-6,8H2,1-3H3,(H2,15,16);1-2H3
InChIKeyIVOMOWCOMJQYKJ-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.41
Rot. Bonds5

About 5-amino-N-ethoxy-2-methyl-N-propyl-6H-pyrazolo[4,3-b]azepine-7-carboxamide;ethane

5-amino-N-ethoxy-2-methyl-N-propyl-6H-pyrazolo[4,3-b]azepine-7-carboxamide;ethane (PubChem CID 162731249) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 5-amino-N-ethoxy-2-methyl-N-propyl-6H-pyrazolo[4,3-b]azepine-7-carboxamide;ethane.

Molecular Properties

Compound Name5-amino-N-ethoxy-2-methyl-N-propyl-6H-pyrazolo[4,3-b]azepine-7-carboxamide;ethane
PubChem CID162731249
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name5-amino-N-ethoxy-2-methyl-N-propyl-6H-pyrazolo[4,3-b]azepine-7-carboxamide;ethane
SMILESCC.CCCN(OCC)C(=O)C1=Cc2nn(C)cc2N=C(N)C1
InChIInChI=1S/C14H21N5O2.C2H6/c1-4-6-19(21-5-2)14(20)10-7-11-12(9-18(3)17-11)16-13(15)8-10;1-2/h7,9H,4-6,8H2,1-3H3,(H2,15,16);1-2H3
InChIKeyIVOMOWCOMJQYKJ-UHFFFAOYSA-N
XLogP2.41
TPSA85.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-ethoxy-N-propyl-6H-thieno[3,2-b]azepine-7-carboxamide
CID 178176458
CID 174115765
CID 174115765
2-amino-8-[1-[3-(aminomethyl)azetidin-1-yl]sulfonylpyrazol-4-yl]-N-ethoxy-N-propyl-3H-1-benzazepine-4-carboxamide
CID 163402968
5-amino-2-[[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]methyl]-N-ethoxy-N-propyl-6H-thieno[3,2-b]azepine-7-carboxamide
CID 169020628
2-amino-4-[2-aminoethoxy(propyl)carbamoyl]-3H-1-benzazepine-8-sulfonic acid
CID 169137476
2-amino-8-(4-formylphenyl)-N-phenylmethoxy-N-propyl-3H-1-benzazepine-4-carboxamide
CID 131969032
(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[5-[5-amino-7-[ethoxy(propyl)carbamoyl]-6H-pyrazolo[4,5-b]azepin-1-yl]pentylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 162731243
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-amino-3H-1-benzazepine-4-carbonyl)-propylamino]oxyethylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 174186574
5-amino-2-[5-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]pentyl]-N-ethoxy-N-propyl-6H-thieno[3,2-b]azepine-7-carboxamide
CID 178176488
4-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[2-amino-4-[ethoxy(propyl)carbamoyl]-3H-1-benzazepin-8-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyloxy]-2,3,5,6-tetrafluorobenzenesulfonic acid
CID 163402857
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-amino-3H-pyrido[3,4-b]azepine-4-carbonyl)-propylamino]oxyethylcarbamoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 174186528
2-amino-N-(2-aminoethoxy)-8-[anilino(hydroxy)methyl]-N-propyl-3H-1-benzazepine-4-carboxamide
CID 167207475

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethoxy-2-methyl-N-propyl-6H-pyrazolo[4,3-b]azepine-7-carboxamide;ethane?
The IUPAC name of 5-amino-N-ethoxy-2-methyl-N-propyl-6H-pyrazolo[4,3-b]azepine-7-carboxamide;ethane (CID 162731249) is 5-amino-N-ethoxy-2-methyl-N-propyl-6H-pyrazolo[4,3-b]azepine-7-carboxamide;ethane.
What is the SMILES notation for 5-amino-N-ethoxy-2-methyl-N-propyl-6H-pyrazolo[4,3-b]azepine-7-carboxamide;ethane?
The canonical SMILES for 5-amino-N-ethoxy-2-methyl-N-propyl-6H-pyrazolo[4,3-b]azepine-7-carboxamide;ethane is CC.CCCN(OCC)C(=O)C1=Cc2nn(C)cc2N=C(N)C1.
What is the InChIKey of 5-amino-N-ethoxy-2-methyl-N-propyl-6H-pyrazolo[4,3-b]azepine-7-carboxamide;ethane?
The InChIKey is IVOMOWCOMJQYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2.C2H6/c1-4-6-19(21-5-2)14(20)10-7-11-12(9-18(3)17-11)16-13(15)8-10;1-2/h7,9H,4-6,8H2,1-3H3,(H2,15,16);1-2H3.
What are the key properties of 5-amino-N-ethoxy-2-methyl-N-propyl-6H-pyrazolo[4,3-b]azepine-7-carboxamide;ethane?
5-amino-N-ethoxy-2-methyl-N-propyl-6H-pyrazolo[4,3-b]azepine-7-carboxamide;ethane has a molecular weight of 321.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethoxy-2-methyl-N-propyl-6H-pyrazolo[4,3-b]azepine-7-carboxamide;ethane is sourced from PubChem (CID 162731249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).