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

C13H20N4O2 — CID 103856148

IUPAC2-(2-oxoazepan-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(NC(=O)CN1CCCCCC1=O)c1cn[nH]c1
InChIInChI=1S/C13H20N4O2/c1-10(11-7-14-15-8-11)16-12(18)9-17-6-4-2-3-5-13(17)19/h7-8,10H,2-6,9H2,1H3,(H,14,15)(H,16,18)
InChIKeyIHVWHPDHMRRHSU-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.99
Rot. Bonds4

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

2-(2-oxoazepan-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (PubChem CID 103856148) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(2-oxoazepan-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-oxoazepan-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
PubChem CID103856148
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-(2-oxoazepan-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(NC(=O)CN1CCCCCC1=O)c1cn[nH]c1
InChIInChI=1S/C13H20N4O2/c1-10(11-7-14-15-8-11)16-12(18)9-17-6-4-2-3-5-13(17)19/h7-8,10H,2-6,9H2,1H3,(H,14,15)(H,16,18)
InChIKeyIHVWHPDHMRRHSU-UHFFFAOYSA-N
XLogP0.99
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxoazocan-1-yl)acetamide
CID 136577101
N-[1-(3-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 47005488
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 94107373
2-(2-oxoazepan-1-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 41074693
N-[(1R)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 97260837
N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 99974343
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 31321499
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 31360865
N-[1-(1H-pyrazol-4-yl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 103855789
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103855815
2-(5-amino-2-oxo-1-pyridinyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106208105

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoazepan-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(2-oxoazepan-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (CID 103856148) is 2-(2-oxoazepan-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-oxoazepan-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-oxoazepan-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is CC(NC(=O)CN1CCCCCC1=O)c1cn[nH]c1.
What is the InChIKey of 2-(2-oxoazepan-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The InChIKey is IHVWHPDHMRRHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10(11-7-14-15-8-11)16-12(18)9-17-6-4-2-3-5-13(17)19/h7-8,10H,2-6,9H2,1H3,(H,14,15)(H,16,18).
What are the key properties of 2-(2-oxoazepan-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
2-(2-oxoazepan-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide has a molecular weight of 264.33 g/mol, XLogP of 0.99, 4 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-[1-(1H-pyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 103856148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).