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1-propyl-5-(4-propylpiperazin-1-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid

ChemBase ID: 340219
Molecular Formular: C18H30N4O2
Molecular Mass: 334.4564
Monoisotopic Mass: 334.23687622
SMILES and InChIs

SMILES:
c12c(nn(c1CCC(C2)N1CCN(CC1)CCC)CCC)C(=O)O
Canonical SMILES:
CCCN1CCN(CC1)C1CCc2c(C1)c(nn2CCC)C(=O)O
InChI:
InChI=1S/C18H30N4O2/c1-3-7-20-9-11-21(12-10-20)14-5-6-16-15(13-14)17(18(23)24)19-22(16)8-4-2/h14H,3-13H2,1-2H3,(H,23,24)
InChIKey:
HUFDLIKKGAWKEX-UHFFFAOYSA-N

Cite this record

CBID:340219 http://www.chembase.cn/molecule-340219.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-propyl-5-(4-propylpiperazin-1-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
IUPAC Traditional name
1-propyl-5-(4-propylpiperazin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
Synonyms
1-propyl-5-(4-propylpiperazin-1-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13841809 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 2.5378232  H Acceptors
H Donor LogD (pH = 5.5) -0.14442578 
LogD (pH = 7.4) -0.1596274  Log P -0.14308931 
Molar Refractivity 107.3509 cm3 Polarizability 36.619545 Å3
Polar Surface Area 61.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.51  LOG S -2.93 
Polar Surface Area 61.6 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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