Formula |
C20H20ClN5O2 |
IUPAC Name |
1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1h-pyrazol-5-yl]-1-piperidyl]-2-hydroxy-ethanone |
Molecular Mass |
397.858 g·mol−1 |
Heat of Formation |
-2.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.95 ± 1.08 D |
Volume |
453.95 Å 3 |
Surface Area |
386.64 Å 2 |
HOMO Energy |
-9.60 ± 0.55 eV |
LUMO Energy |
-0.93 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 1-[4-[5-(4-chlorophenyl)-4-(4-pyrimidinyl)-2h-pyrazol-3-yl]-1-piperidinyl]-2-hydroxyethanone
- 1-[4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-2h-pyrazol-3-yl]-1-piperidyl]-2-hydroxy-ethanone
- 1-[4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-2h-pyrazol-3-yl]piperidin-1-yl]-2-hydroxy-ethanone
- 1-[4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-2h-pyrazol-3-yl]piperidin-1-yl]-2-hydroxyethanone
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InChIKey |
CATQHDWESBRRQA-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
N
O
Cl
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