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

ChemBase ID: 340725
Molecular Formular: C21H30N4O
Molecular Mass: 354.4891
Monoisotopic Mass: 354.2419616
SMILES and InChIs

SMILES:
c1(c([nH]nc1C)C)CCC(=O)NCCN1CCC(CC1)c1ccccc1
Canonical SMILES:
O=C(CCc1c(C)n[nH]c1C)NCCN1CCC(CC1)c1ccccc1
InChI:
InChI=1S/C21H30N4O/c1-16-20(17(2)24-23-16)8-9-21(26)22-12-15-25-13-10-19(11-14-25)18-6-4-3-5-7-18/h3-7,19H,8-15H2,1-2H3,(H,22,26)(H,23,24)
InChIKey:
ZBJSBCDGCVGUPH-UHFFFAOYSA-N

Cite this record

CBID:340725 http://www.chembase.cn/molecule-340725.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

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

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13919446 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.109762  H Acceptors
H Donor LogD (pH = 5.5) -0.34525436 
LogD (pH = 7.4) 1.4284117  Log P 2.3972454 
Molar Refractivity 106.9188 cm3 Polarizability 40.60209 Å3
Polar Surface Area 61.02 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.35  LOG S -3.79 
Polar Surface Area 61.02 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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