2-(2-oxoazepan-1-yl)-N-(1H-pyrazol-4-yl)acetamide

C11H16N4O2 — CID 43429689

IUPAC2-(2-oxoazepan-1-yl)-N-(1H-pyrazol-4-yl)acetamide
SMILESO=C(CN1CCCCCC1=O)Nc1cn[nH]c1
InChIInChI=1S/C11H16N4O2/c16-10(14-9-6-12-13-7-9)8-15-5-3-1-2-4-11(15)17/h6-7H,1-5,8H2,(H,12,13)(H,14,16)
InChIKeySNCAYMGSRSTKBG-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.75
Rot. Bonds3

About 2-(2-oxoazepan-1-yl)-N-(1H-pyrazol-4-yl)acetamide

2-(2-oxoazepan-1-yl)-N-(1H-pyrazol-4-yl)acetamide (PubChem CID 43429689) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(2-oxoazepan-1-yl)-N-(1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-oxoazepan-1-yl)-N-(1H-pyrazol-4-yl)acetamide
PubChem CID43429689
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-(2-oxoazepan-1-yl)-N-(1H-pyrazol-4-yl)acetamide
SMILESO=C(CN1CCCCCC1=O)Nc1cn[nH]c1
InChIInChI=1S/C11H16N4O2/c16-10(14-9-6-12-13-7-9)8-15-5-3-1-2-4-11(15)17/h6-7H,1-5,8H2,(H,12,13)(H,14,16)
InChIKeySNCAYMGSRSTKBG-UHFFFAOYSA-N
XLogP0.75
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(2-oxopiperidin-1-yl)-N-(1H-pyrazol-4-yl)pentanamide
CID 71972608
(2S)-2-N,2-N-diethyl-1-N-(1H-pyrazol-4-yl)pyrrolidine-1,2-dicarboxamide
CID 95628337
(2S)-N-methyl-N-(1-methylpyrazol-4-yl)-7-oxoazepane-2-carboxamide
CID 164636195
1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide
CID 81179351
2-piperidin-1-yl-N-(1H-pyrazol-4-yl)acetamide
CID 20784696
N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide
CID 20784960
3-(4-Amino-1H-pyrazol-1-YL)azepan-2-one
CID 43185834
N-(1H-pyrazol-4-yl)pentanamide
CID 43429429
(2R)-1-ethyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide
CID 122625521
N,N-dimethyl-2-[methyl(1H-pyrazol-4-yl)amino]butanamide
CID 123420183
2-methyl-N-(1H-pyrazol-4-yl)hexanamide
CID 142236469
1-(1H-pyrazol-4-yl)piperidin-2-one
CID 146598104

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoazepan-1-yl)-N-(1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-(2-oxoazepan-1-yl)-N-(1H-pyrazol-4-yl)acetamide (CID 43429689) is 2-(2-oxoazepan-1-yl)-N-(1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(2-oxoazepan-1-yl)-N-(1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-(2-oxoazepan-1-yl)-N-(1H-pyrazol-4-yl)acetamide is O=C(CN1CCCCCC1=O)Nc1cn[nH]c1.
What is the InChIKey of 2-(2-oxoazepan-1-yl)-N-(1H-pyrazol-4-yl)acetamide?
The InChIKey is SNCAYMGSRSTKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c16-10(14-9-6-12-13-7-9)8-15-5-3-1-2-4-11(15)17/h6-7H,1-5,8H2,(H,12,13)(H,14,16).
What are the key properties of 2-(2-oxoazepan-1-yl)-N-(1H-pyrazol-4-yl)acetamide?
2-(2-oxoazepan-1-yl)-N-(1H-pyrazol-4-yl)acetamide has a molecular weight of 236.27 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoazepan-1-yl)-N-(1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 43429689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).