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1-[1-(2-ethoxyethyl)-3-methyl-1H-pyrazole-5-carbonyl]-3-(1-ethyl-1H-imidazol-2-yl)piperidine

ChemBase ID: 370884
Molecular Formular: C19H29N5O2
Molecular Mass: 359.46586
Monoisotopic Mass: 359.23212519
SMILES and InChIs

SMILES:
c1(n(nc(c1)C)CCOCC)C(=O)N1CC(c2n(ccn2)CC)CCC1
Canonical SMILES:
CCOCCn1nc(cc1C(=O)N1CCCC(C1)c1nccn1CC)C
InChI:
InChI=1S/C19H29N5O2/c1-4-22-10-8-20-18(22)16-7-6-9-23(14-16)19(25)17-13-15(3)21-24(17)11-12-26-5-2/h8,10,13,16H,4-7,9,11-12,14H2,1-3H3
InChIKey:
DRMBSSUMHQIIEG-UHFFFAOYSA-N

Cite this record

CBID:370884 http://www.chembase.cn/molecule-370884.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[1-(2-ethoxyethyl)-3-methyl-1H-pyrazole-5-carbonyl]-3-(1-ethyl-1H-imidazol-2-yl)piperidine
IUPAC Traditional name
1-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-3-(1-ethylimidazol-2-yl)piperidine
Synonyms
1-{[1-(2-ethoxyethyl)-3-methyl-1H-pyrazol-5-yl]carbonyl}-3-(1-ethyl-1H-imidazol-2-yl)piperidine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 0.4020654  LogD (pH = 7.4) 1.0419377 
Log P 1.0709904  Molar Refractivity 112.7773 cm3
Polarizability 38.225227 Å3 Polar Surface Area 65.18 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.09  LOG S -3.05 
Polar Surface Area 65.18 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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