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

C17H30N4O2 — CID 72921407

IUPACN-[[5-(2-ethylbutyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide
SMILESCCC(CC)CN1CCCn2nc(CNC(=O)COC)cc2C1
InChIInChI=1S/C17H30N4O2/c1-4-14(5-2)11-20-7-6-8-21-16(12-20)9-15(19-21)10-18-17(22)13-23-3/h9,14H,4-8,10-13H2,1-3H3,(H,18,22)
InChIKeyNFWILIQLKLUZDW-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.79
Rot. Bonds8

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

N-[[5-(2-ethylbutyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide (PubChem CID 72921407) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[[5-(2-ethylbutyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[5-(2-ethylbutyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide
PubChem CID72921407
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC NameN-[[5-(2-ethylbutyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide
SMILESCCC(CC)CN1CCCn2nc(CNC(=O)COC)cc2C1
InChIInChI=1S/C17H30N4O2/c1-4-14(5-2)11-20-7-6-8-21-16(12-20)9-15(19-21)10-18-17(22)13-23-3/h9,14H,4-8,10-13H2,1-3H3,(H,18,22)
InChIKeyNFWILIQLKLUZDW-UHFFFAOYSA-N
XLogP1.79
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-4-piperidinyl]-1,3-oxazolidin-2-one
CID 56907863
3-methoxy-N-[(5-propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide
CID 70709977
N~2~-cyclopentyl-N~2~-methyl-N~1~-[(5-propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]glycinamide
CID 70713788
methyl [(5-acetyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]carbamate
CID 70721386
N-[(5-isobutyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 70722530
N-[(5-acetyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-4-methylpiperidine-1-sulfonamide
CID 70737586
N-[(5-propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]tetrahydrofuran-3-carboxamide
CID 70749764
N-[(5-cyclohexyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-methoxybutanamide
CID 70753276
N~1~-[(5-isobutyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-beta-alaninamide
CID 70767779
N-[(5-cyclohexyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propoxypropanamide
CID 70776116
N-[(1-cyclopentyl-5-cyclopropyl-1H-pyrazol-3-yl)methyl]-2-ethoxyacetamide
CID 71808666
N-{[5-(3-cyclopentylpropyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}-2-methoxyacetamide
CID 72847675

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-ethylbutyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[5-(2-ethylbutyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide (CID 72921407) is N-[[5-(2-ethylbutyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[5-(2-ethylbutyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[5-(2-ethylbutyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide is CCC(CC)CN1CCCn2nc(CNC(=O)COC)cc2C1.
What is the InChIKey of N-[[5-(2-ethylbutyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide?
The InChIKey is NFWILIQLKLUZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-4-14(5-2)11-20-7-6-8-21-16(12-20)9-15(19-21)10-18-17(22)13-23-3/h9,14H,4-8,10-13H2,1-3H3,(H,18,22).
What are the key properties of N-[[5-(2-ethylbutyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide?
N-[[5-(2-ethylbutyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide has a molecular weight of 322.45 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-ethylbutyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 72921407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).