N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(2-oxoazepan-1-yl)acetamide

C17H28N4O2 — CID 46991762

IUPACN-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(2-oxoazepan-1-yl)acetamide
SMILESCCC(CC)n1nc(C)cc1NC(=O)CN1CCCCCC1=O
InChIInChI=1S/C17H28N4O2/c1-4-14(5-2)21-15(11-13(3)19-21)18-16(22)12-20-10-8-6-7-9-17(20)23/h11,14H,4-10,12H2,1-3H3,(H,18,22)
InChIKeyLZTGQTVFARPGPN-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.89
Rot. Bonds6

About N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(2-oxoazepan-1-yl)acetamide

N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 46991762) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(2-oxoazepan-1-yl)acetamide
PubChem CID46991762
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(2-oxoazepan-1-yl)acetamide
SMILESCCC(CC)n1nc(C)cc1NC(=O)CN1CCCCCC1=O
InChIInChI=1S/C17H28N4O2/c1-4-14(5-2)21-15(11-13(3)19-21)18-16(22)12-20-10-8-6-7-9-17(20)23/h11,14H,4-10,12H2,1-3H3,(H,18,22)
InChIKeyLZTGQTVFARPGPN-UHFFFAOYSA-N
XLogP2.89
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Piperidinone, 3-amino-1-(1,3-dimethyl-1H-pyrazol-5-yl)-
CID 56828034
2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-3-yl)acetamide
CID 46981201
3-[[5-(Dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]azepan-2-one
CID 51104975
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928950
N-[3-(Azepan-1-YL)propyl]-4-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL}butanamide
CID 20928962
N-{2-[Cyclohexyl(methyl)amino]ethyl}-4-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL}butanamide
CID 20928977
1-(Azepan-1-YL)-4-{2-methyl-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL}butane-1,4-dione
CID 20929170
2-(azepan-1-yl)-N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-2-oxoacetamide
CID 135954152
(3S)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 29086908
N-(2,5-dimethylpyrazol-3-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 36142051
N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperazin-1-yl)acetamide
CID 36799947
N-(2,5-dimethylpyrazol-3-yl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 36800023

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(2-oxoazepan-1-yl)acetamide (CID 46991762) is N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(2-oxoazepan-1-yl)acetamide is CCC(CC)n1nc(C)cc1NC(=O)CN1CCCCCC1=O.
What is the InChIKey of N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is LZTGQTVFARPGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-4-14(5-2)21-15(11-13(3)19-21)18-16(22)12-20-10-8-6-7-9-17(20)23/h11,14H,4-10,12H2,1-3H3,(H,18,22).
What are the key properties of N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(2-oxoazepan-1-yl)acetamide?
N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 320.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 46991762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).