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{1-[1-methyl-3-(2-methylpropyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}methanamine

ChemBase ID: 360383
Molecular Formular: C14H24N4O
Molecular Mass: 264.36656
Monoisotopic Mass: 264.19501141
SMILES and InChIs

SMILES:
c1(n(nc(c1)CC(C)C)C)C(=O)N1CC(CC1)CN
Canonical SMILES:
NCC1CCN(C1)C(=O)c1cc(nn1C)CC(C)C
InChI:
InChI=1S/C14H24N4O/c1-10(2)6-12-7-13(17(3)16-12)14(19)18-5-4-11(8-15)9-18/h7,10-11H,4-6,8-9,15H2,1-3H3
InChIKey:
RXVPLMFOYBQTFB-UHFFFAOYSA-N

Cite this record

CBID:360383 http://www.chembase.cn/molecule-360383.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{1-[1-methyl-3-(2-methylpropyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}methanamine
IUPAC Traditional name
{1-[2-methyl-5-(2-methylpropyl)pyrazole-3-carbonyl]pyrrolidin-3-yl}methanamine
Synonyms
({1-[(3-isobutyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-3-pyrrolidinyl}methyl)amine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 16801618 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) -2.5579586  LogD (pH = 7.4) -1.843593 
Log P 0.4513598  Molar Refractivity 87.5787 cm3
Polarizability 29.031199 Å3 Polar Surface Area 64.15 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.5  LOG S -2.01 
Polar Surface Area 64.15 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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