N-cyclooctyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]acetamide

C15H26N4O — CID 91838024

IUPACN-cyclooctyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]acetamide
SMILESCN(CC(=O)NC1CCCCCCC1)Cc1ccn[nH]1
InChIInChI=1S/C15H26N4O/c1-19(11-14-9-10-16-18-14)12-15(20)17-13-7-5-3-2-4-6-8-13/h9-10,13H,2-8,11-12H2,1H3,(H,16,18)(H,17,20)
InChIKeyHYRZIHUEOXQMIZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.07
Rot. Bonds5

About N-cyclooctyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]acetamide

N-cyclooctyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]acetamide (PubChem CID 91838024) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-cyclooctyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]acetamide
PubChem CID91838024
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-cyclooctyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]acetamide
SMILESCN(CC(=O)NC1CCCCCCC1)Cc1ccn[nH]1
InChIInChI=1S/C15H26N4O/c1-19(11-14-9-10-16-18-14)12-15(20)17-13-7-5-3-2-4-6-8-13/h9-10,13H,2-8,11-12H2,1H3,(H,16,18)(H,17,20)
InChIKeyHYRZIHUEOXQMIZ-UHFFFAOYSA-N
XLogP2.07
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopentyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)succinamide
CID 46985825
tert-butyl 2-(1H-pyrazol-5-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 51095422
4-acetyl-N-(1H-pyrazol-5-ylmethyl)-1,4-diazepane-1-carboxamide
CID 71892814
3-acetamido-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide
CID 71892817
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 43663763
N-[3-(2-methylpiperidin-1-yl)propyl]-1H-pyrazole-5-carboxamide
CID 53524109
N~2~-acetyl-N~1~-methyl-N~1~-(1H-pyrazol-3-ylmethyl)norvalinamide
CID 86287249
N-methyl-N-(1H-pyrazol-3-ylmethyl)-2-pyrrolidin-1-ylbutanamide
CID 90651113
2,2,2-trifluoro-N-[(3R,6S)-1-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 122155588
(2S)-N-tert-butyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]butanamide
CID 124751548
(2S)-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 126423142
(2S)-2-(4-methylpiperazin-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]propanamide
CID 164635010

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]acetamide?
The IUPAC name of N-cyclooctyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]acetamide (CID 91838024) is N-cyclooctyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]acetamide?
The canonical SMILES for N-cyclooctyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]acetamide is CN(CC(=O)NC1CCCCCCC1)Cc1ccn[nH]1.
What is the InChIKey of N-cyclooctyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]acetamide?
The InChIKey is HYRZIHUEOXQMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-19(11-14-9-10-16-18-14)12-15(20)17-13-7-5-3-2-4-6-8-13/h9-10,13H,2-8,11-12H2,1H3,(H,16,18)(H,17,20).
What are the key properties of N-cyclooctyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]acetamide?
N-cyclooctyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[methyl(1H-pyrazol-5-ylmethyl)amino]acetamide is sourced from PubChem (CID 91838024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).