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N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N-methyl-3-(5-methylthiophen-2-yl)-1H-pyrazole-5-carboxamide

ChemBase ID: 340218
Molecular Formular: C17H19N5OS
Molecular Mass: 341.43066
Monoisotopic Mass: 341.13103125
SMILES and InChIs

SMILES:
c1(cc(n[nH]1)c1sc(cc1)C)C(=O)N(Cc1n[nH]c(c1)C1CC1)C
Canonical SMILES:
Cc1ccc(s1)c1n[nH]c(c1)C(=O)N(Cc1n[nH]c(c1)C1CC1)C
InChI:
InChI=1S/C17H19N5OS/c1-10-3-6-16(24-10)14-8-15(21-20-14)17(23)22(2)9-12-7-13(19-18-12)11-4-5-11/h3,6-8,11H,4-5,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKey:
KNHKWYZCBWOAFL-UHFFFAOYSA-N

Cite this record

CBID:340218 http://www.chembase.cn/molecule-340218.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-3-(5-methylthiophen-2-yl)-1H-pyrazole-5-carboxamide
IUPAC Traditional name
N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N-methyl-5-(5-methylthiophen-2-yl)-2H-pyrazole-3-carboxamide
Synonyms
N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N-methyl-3-(5-methyl-2-thienyl)-1H-pyrazole-5-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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 8.962539  H Acceptors
H Donor LogD (pH = 5.5) 2.6846957 
LogD (pH = 7.4) 2.6735249  Log P 2.6849675 
Molar Refractivity 95.326 cm3 Polarizability 36.15706 Å3
Polar Surface Area 77.67 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.46  LOG S -2.94 
Polar Surface Area 77.67 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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