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N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-3-cyclopropyl-1H-pyrazole-5-carboxamide

ChemBase ID: 340593
Molecular Formular: C16H19ClN6O
Molecular Mass: 346.81466
Monoisotopic Mass: 346.13088694
SMILES and InChIs

SMILES:
c1(cc(n[nH]1)C1CC1)C(=O)NC1CCN(c2nnc(cc2)Cl)CC1
Canonical SMILES:
Clc1ccc(nn1)N1CCC(CC1)NC(=O)c1[nH]nc(c1)C1CC1
InChI:
InChI=1S/C16H19ClN6O/c17-14-3-4-15(22-21-14)23-7-5-11(6-8-23)18-16(24)13-9-12(19-20-13)10-1-2-10/h3-4,9-11H,1-2,5-8H2,(H,18,24)(H,19,20)
InChIKey:
UNGIAWUNNNQCIA-UHFFFAOYSA-N

Cite this record

CBID:340593 http://www.chembase.cn/molecule-340593.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-3-cyclopropyl-1H-pyrazole-5-carboxamide
IUPAC Traditional name
N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-5-cyclopropyl-2H-pyrazole-3-carboxamide
Synonyms
N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-3-cyclopropyl-1H-pyrazole-5-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13899346 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 9.713065  H Acceptors
H Donor LogD (pH = 5.5) 1.3217677 
LogD (pH = 7.4) 1.320018  Log P 1.322077 
Molar Refractivity 95.4243 cm3 Polarizability 34.138226 Å3
Polar Surface Area 86.8 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.79  LOG S -3.25 
Polar Surface Area 86.8 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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