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2-amino-N-cyclopropyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-ethylphenyl)methyl]acetamide
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ChemBase ID:
320624
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Molecular Formular:
C19H26N4O
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Molecular Mass:
326.43594
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Monoisotopic Mass:
326.21066147
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SMILES and InChIs
SMILES:
c1(C(C(=O)N(C2CC2)Cc2ccc(cc2)CC)N)c([nH]nc1C)C
Canonical SMILES:
CCc1ccc(cc1)CN(C(=O)C(c1c(C)n[nH]c1C)N)C1CC1
InChI:
InChI=1S/C19H26N4O/c1-4-14-5-7-15(8-6-14)11-23(16-9-10-16)19(24)18(20)17-12(2)21-22-13(17)3/h5-8,16,18H,4,9-11,20H2,1-3H3,(H,21,22)
InChIKey:
SUOGGJNCXCIDJS-UHFFFAOYSA-N
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Cite this record
CBID:320624 http://www.chembase.cn/molecule-320624.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-amino-N-cyclopropyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-ethylphenyl)methyl]acetamide
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IUPAC Traditional name
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2-amino-N-cyclopropyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-ethylphenyl)methyl]acetamide
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Synonyms
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2-amino-N-cyclopropyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-ethylbenzyl)acetamide
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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14.927889
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H Acceptors
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3
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H Donor
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2
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LogD (pH = 5.5)
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0.35890955
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LogD (pH = 7.4)
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1.9233887
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Log P
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2.2125065
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Molar Refractivity
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96.8715 cm3
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Polarizability
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36.90854 Å3
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Polar Surface Area
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75.01 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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true
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H Acceptors
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3
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H Donor
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2
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Log P
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2.62
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LOG S
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-3.82
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Polar Surface Area
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75.01 Å2
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Rotatable Bonds
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6
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent