2-(azocan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C15H26N4O — CID 8679994

IUPAC2-(azocan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CN1CCCCCCC1
InChIInChI=1S/C15H26N4O/c1-12-15(13(2)18(3)17-12)16-14(20)11-19-9-7-5-4-6-8-10-19/h4-11H2,1-3H3,(H,16,20)
InChIKeyMNODKWMIMMUDCV-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.24
Rot. Bonds3

About 2-(azocan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-(azocan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 8679994) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(azocan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(azocan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID8679994
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-(azocan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CN1CCCCCCC1
InChIInChI=1S/C15H26N4O/c1-12-15(13(2)18(3)17-12)16-14(20)11-19-9-7-5-4-6-8-10-19/h4-11H2,1-3H3,(H,16,20)
InChIKeyMNODKWMIMMUDCV-UHFFFAOYSA-N
XLogP2.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30739058
2-(3-aminopiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 61295721
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 63248998
2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 26551937
ethyl 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-3-carboxylate
CID 51223560
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 11931992
2-(2-methylpiperidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51223569
N-(2-ethylphenyl)-2-[4-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperazin-1-yl]acetamide
CID 8795402
2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60504165
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86827343
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47017403
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 115648416

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(azocan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 8679994) is 2-(azocan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(azocan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(azocan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)CN1CCCCCCC1.
What is the InChIKey of 2-(azocan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is MNODKWMIMMUDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12-15(13(2)18(3)17-12)16-14(20)11-19-9-7-5-4-6-8-10-19/h4-11H2,1-3H3,(H,16,20).
What are the key properties of 2-(azocan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(azocan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 8679994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).