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N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-3-(2-methyl-1H-indol-1-yl)propanamide

ChemBase ID: 460141
Molecular Formular: C19H24N4O
Molecular Mass: 324.42006
Monoisotopic Mass: 324.19501141
SMILES and InChIs

SMILES:
c1(c(n(nc1)C)C)CN(C(=O)CCn1c(cc2c1cccc2)C)C
Canonical SMILES:
O=C(N(Cc1cnn(c1C)C)C)CCn1c(C)cc2c1cccc2
InChI:
InChI=1S/C19H24N4O/c1-14-11-16-7-5-6-8-18(16)23(14)10-9-19(24)21(3)13-17-12-20-22(4)15(17)2/h5-8,11-12H,9-10,13H2,1-4H3
InChIKey:
PONILQRMGUUUGI-UHFFFAOYSA-N

Cite this record

CBID:460141 http://www.chembase.cn/molecule-460141.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-3-(2-methyl-1H-indol-1-yl)propanamide
IUPAC Traditional name
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-3-(2-methylindol-1-yl)propanamide
Synonyms
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-3-(2-methyl-1H-indol-1-yl)propanamide

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) 2.2023065  LogD (pH = 7.4) 2.2025423 
Log P 2.2025452  Molar Refractivity 108.2562 cm3
Polarizability 37.646275 Å3 Polar Surface Area 43.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.38  LOG S -3.6 
Polar Surface Area 43.06 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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