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1-{pyrazolo[1,5-a]pyrimidin-3-ylmethyl}-4-(pyridin-3-yl)piperazine

ChemBase ID: 323639
Molecular Formular: C16H18N6
Molecular Mass: 294.35432
Monoisotopic Mass: 294.15929461
SMILES and InChIs

SMILES:
c12c(cnn1cccn2)CN1CCN(c2cnccc2)CC1
Canonical SMILES:
c1ccc(cn1)N1CCN(CC1)Cc1cnn2c1nccc2
InChI:
InChI=1S/C16H18N6/c1-3-15(12-17-4-1)21-9-7-20(8-10-21)13-14-11-19-22-6-2-5-18-16(14)22/h1-6,11-12H,7-10,13H2
InChIKey:
MRSVJGWTFHHMME-UHFFFAOYSA-N

Cite this record

CBID:323639 http://www.chembase.cn/molecule-323639.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-{pyrazolo[1,5-a]pyrimidin-3-ylmethyl}-4-(pyridin-3-yl)piperazine
IUPAC Traditional name
1-{pyrazolo[1,5-a]pyrimidin-3-ylmethyl}-4-(pyridin-3-yl)piperazine
Synonyms
3-{[4-(3-pyridinyl)-1-piperazinyl]methyl}pyrazolo[1,5-a]pyrimidine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11461299 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)
H Acceptors H Donor
LogD (pH = 5.5) -0.5122521  LogD (pH = 7.4) 0.97350216 
Log P 1.1149367  Molar Refractivity 96.708 cm3
Polarizability 32.222977 Å3 Polar Surface Area 49.56 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.19  LOG S -1.36 
Polar Surface Area 49.56 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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