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

C18H28N6O2 — CID 70718158

IUPACN-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide
SMILESCCn1cc(CN2CCCn3nc(CNC(=O)COC)cc3C2)c(C)n1
InChIInChI=1S/C18H28N6O2/c1-4-23-11-15(14(2)20-23)10-22-6-5-7-24-17(12-22)8-16(21-24)9-19-18(25)13-26-3/h8,11H,4-7,9-10,12-13H2,1-3H3,(H,19,25)
InChIKeyGISOCISGFJAKOO-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.08
Rot. Bonds7

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

N-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide (PubChem CID 70718158) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide
PubChem CID70718158
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC NameN-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide
SMILESCCn1cc(CN2CCCn3nc(CNC(=O)COC)cc3C2)c(C)n1
InChIInChI=1S/C18H28N6O2/c1-4-23-11-15(14(2)20-23)10-22-6-5-7-24-17(12-22)8-16(21-24)9-19-18(25)13-26-3/h8,11H,4-7,9-10,12-13H2,1-3H3,(H,19,25)
InChIKeyGISOCISGFJAKOO-UHFFFAOYSA-N
XLogP1.08
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide (CID 70718158) is N-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide is CCn1cc(CN2CCCn3nc(CNC(=O)COC)cc3C2)c(C)n1.
What is the InChIKey of N-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide?
The InChIKey is GISOCISGFJAKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-4-23-11-15(14(2)20-23)10-22-6-5-7-24-17(12-22)8-16(21-24)9-19-18(25)13-26-3/h8,11H,4-7,9-10,12-13H2,1-3H3,(H,19,25).
What are the key properties of N-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide?
N-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide has a molecular weight of 360.46 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 70718158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).