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N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N-methyl-2-(2-propyl-1H-1,3-benzodiazol-1-yl)propanamide

ChemBase ID: 470197
Molecular Formular: C21H27N5O
Molecular Mass: 365.47198
Monoisotopic Mass: 365.22156051
SMILES and InChIs

SMILES:
n1(c(nc2c1cccc2)CCC)C(C(=O)N(Cc1n[nH]c(c1)C1CC1)C)C
Canonical SMILES:
CCCc1nc2c(n1C(C(=O)N(Cc1n[nH]c(c1)C1CC1)C)C)cccc2
InChI:
InChI=1S/C21H27N5O/c1-4-7-20-22-17-8-5-6-9-19(17)26(20)14(2)21(27)25(3)13-16-12-18(24-23-16)15-10-11-15/h5-6,8-9,12,14-15H,4,7,10-11,13H2,1-3H3,(H,23,24)
InChIKey:
UUKRNENMXZJVEM-UHFFFAOYSA-N

Cite this record

CBID:470197 http://www.chembase.cn/molecule-470197.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N-methyl-2-(2-propyl-1H-1,3-benzodiazol-1-yl)propanamide
IUPAC Traditional name
N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N-methyl-2-(2-propyl-1,3-benzodiazol-1-yl)propanamide
Synonyms
N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N-methyl-2-(2-propyl-1H-benzimidazol-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)
Acid pKa 14.068033  H Acceptors
H Donor LogD (pH = 5.5) 2.6458495 
LogD (pH = 7.4) 3.158032  Log P 3.171966 
Molar Refractivity 105.8488 cm3 Polarizability 41.625076 Å3
Polar Surface Area 66.81 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.08  LOG S -4.49 
Polar Surface Area 66.81 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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