N-[2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid

C20H29F3N6O4 — CID 155831021

IUPACN-[2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid
SMILESCOCC(=O)NCCC1CN(Cc2cc(C)nn2C)Cc2ccnn2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H28N6O2.C2HF3O2/c1-14-8-17(22(2)21-14)12-23-9-15(4-6-19-18(25)13-26-3)10-24-16(11-23)5-7-20-24;3-2(4,5)1(6)7/h5,7-8,15H,4,6,9-13H2,1-3H3,(H,19,25);(H,6,7)
InChIKeyGZHGMDUMSOWSTP-UHFFFAOYSA-N
MW474.48 g/mol
LogP1.34
Rot. Bonds7

About N-[2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid

N-[2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid (PubChem CID 155831021) has the molecular formula C20H29F3N6O4 and a molecular weight of 474.48 g/mol. Its IUPAC name is N-[2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid
PubChem CID155831021
Molecular FormulaC20H29F3N6O4
Molecular Weight474.48 g/mol
Exact Mass474.22
IUPAC NameN-[2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid
SMILESCOCC(=O)NCCC1CN(Cc2cc(C)nn2C)Cc2ccnn2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H28N6O2.C2HF3O2/c1-14-8-17(22(2)21-14)12-23-9-15(4-6-19-18(25)13-26-3)10-24-16(11-23)5-7-20-24;3-2(4,5)1(6)7/h5,7-8,15H,4,6,9-13H2,1-3H3,(H,19,25);(H,6,7)
InChIKeyGZHGMDUMSOWSTP-UHFFFAOYSA-N
XLogP1.34
TPSA114.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid (CID 155831021) is N-[2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid is COCC(=O)NCCC1CN(Cc2cc(C)nn2C)Cc2ccnn2C1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is GZHGMDUMSOWSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2.C2HF3O2/c1-14-8-17(22(2)21-14)12-23-9-15(4-6-19-18(25)13-26-3)10-24-16(11-23)5-7-20-24;3-2(4,5)1(6)7/h5,7-8,15H,4,6,9-13H2,1-3H3,(H,19,25);(H,6,7).
What are the key properties of N-[2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid?
N-[2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 474.48 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155831021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).