N-[1-[1-(2-oxoazepan-3-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide

C15H23N5O2 — CID 128970282

IUPACN-[1-[1-(2-oxoazepan-3-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(C2CCN(C3CCCCNC3=O)C2)n1
InChIInChI=1S/C15H23N5O2/c1-11(21)17-14-6-9-20(18-14)12-5-8-19(10-12)13-4-2-3-7-16-15(13)22/h6,9,12-13H,2-5,7-8,10H2,1H3,(H,16,22)(H,17,18,21)
InChIKeyYTQRNVWVXBXIIS-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.76
Rot. Bonds3

About N-[1-[1-(2-oxoazepan-3-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide

N-[1-[1-(2-oxoazepan-3-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide (PubChem CID 128970282) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[1-[1-(2-oxoazepan-3-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[1-(2-oxoazepan-3-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
PubChem CID128970282
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC NameN-[1-[1-(2-oxoazepan-3-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(C2CCN(C3CCCCNC3=O)C2)n1
InChIInChI=1S/C15H23N5O2/c1-11(21)17-14-6-9-20(18-14)12-5-8-19(10-12)13-4-2-3-7-16-15(13)22/h6,9,12-13H,2-5,7-8,10H2,1H3,(H,16,22)(H,17,18,21)
InChIKeyYTQRNVWVXBXIIS-UHFFFAOYSA-N
XLogP0.76
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129004093
(3S)-3-(3-acetamidopyrazol-1-yl)-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 129329890
3-[3-(methylamino)pyrrolidin-1-yl]azepan-2-one
CID 115300701
N-[1-[(3S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129325783
N-[1-[(3R)-1-[(2R)-oxane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129327694
N-[1-[(3R)-1-[[(2S)-oxan-2-yl]methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129339923
N-[1-[(3S)-1-[(2R)-2-ethoxypropanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129327404
N-[1-[(3S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129326453
N-[1-[1-(2-benzyl-3-phenylpropyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 119038675
N-[1-[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129328085
N-[1-[(3R)-1-[(2R,5S)-5-methyloxolane-2-carbonyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129326651
N-[1-[(3R)-1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129325497

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-oxoazepan-3-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[1-(2-oxoazepan-3-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide (CID 128970282) is N-[1-[1-(2-oxoazepan-3-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[1-(2-oxoazepan-3-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[1-(2-oxoazepan-3-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccn(C2CCN(C3CCCCNC3=O)C2)n1.
What is the InChIKey of N-[1-[1-(2-oxoazepan-3-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The InChIKey is YTQRNVWVXBXIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-11(21)17-14-6-9-20(18-14)12-5-8-19(10-12)13-4-2-3-7-16-15(13)22/h6,9,12-13H,2-5,7-8,10H2,1H3,(H,16,22)(H,17,18,21).
What are the key properties of N-[1-[1-(2-oxoazepan-3-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
N-[1-[1-(2-oxoazepan-3-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide has a molecular weight of 305.38 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-oxoazepan-3-yl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 128970282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).